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4'-((2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-ene-3-yl)methyl)(1,1'-biphenyl)-2-carbonitrile

UUID d09a60db-c58e-4401-8793-aa8933868452
Flow Object IDfo-2ad2c4ec18c081b3
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 138401-24-8
EC Numbers 423-500-4
prefLabel
Language Value Provenance
en 4'-((2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-ene-3-yl)methyl)(1,1'-biphenyl)-2-carbonitrile
altLabel
Language Value Provenance
en 1,3-Diazaspiro[4.4]nonane, [1,1′-biphenyl]-2-carbonitrile deriv.
en 2-Butyl-3-[[2′-(cyano)biphenyl-4-yl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one
en 2-[4-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]benzonitrile
en 2<em>n</em>-Butyl-3-[[2′-cyanobiphenyl-4-yl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one
en 4′-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl][1,1′-biphenyl]-2-carbonitrile
en [1,1′-Biphenyl]-2-carbonitrile, 4′-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-
References
Shared Properties
Predicate Value
InChIKey KWEQEHOPDHARIA-UHFFFAOYSA-N, KWEQEHOPDHARIA-UHFFFAOYSA-O
InChI InChI=1S/C25H27N3O/c1-2-3-10-23-27-25(15-6-7-16-25)24(29)28(23)18-19-11-13-20(14-12-19)22-9-5-4-8-21(22)17-26/h4-5,8-9,11-14H,2-3,6-7,10,15-16,18H2,1H3, InChI=1S/C25H27N3O/c1-2-3-10-23-27-25(15-6-7-16-25)24(29)28(23)18-19-11-13-20(14-12-19)22-9-5-4-8-21(22)17-26/h4-5,8-9,11-14H,2-3,6-7,10,15-16,18H2,1H3/p+1
IUPAC name 2-[4-[(2-butyl-4-keto-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]benzonitrile, 2-[4-[(2-butyl-4-keto-3-aza-1-azoniaspiro[4.4]non-1-en-3-yl)methyl]phenyl]benzonitrile, 2-[4-[(2-butyl-4-oxidanylidene-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]benzenecarbonitrile, 2-[4-[(2-butyl-4-oxidanylidene-3-aza-1-azoniaspiro[4.4]non-1-en-3-yl)methyl]phenyl]benzenecarbonitrile, 2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]benzonitrile, 2-[4-[(2-butyl-4-oxo-3-aza-1-azoniaspiro[4.4]non-1-en-3-yl)methyl]phenyl]benzonitrile
Molecular formula C25H27N3O, C25H28N3O+
SMILES CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N, CCCCC1=[NH+]C2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 d09a60db-c58e-4401-8793-aa8933868452 4'-((2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-ene-3-yl)methyl)(1,1'-biphenyl)-2-carbonitrile

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 4'-((2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-ene-3-yl)methyl)(1,1'-biphenyl)-2-carbonitrile Emissions/Emissions to air/Emissions to air, indoor kg exactMatch

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 consensus_match group_key=4'-((2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-ene-3-yl)methyl)(1,1'-biphenyl)-2-carbonitrile||dimension=Environmental > media=Ground > geography=Unknown; cas=138401-24-8; added Common Chemistry CAS names as altLabel: 1,3-Diazaspiro[4.4]nonane, [1,1′-biphenyl]-2-carbonitrile deriv., 2-Butyl-3-[[2′-(cyano)biphenyl-4-yl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one, 2-[4-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]benzonitrile, 2<em>n</em>-Butyl-3-[[2′-cyanobiphenyl-4-yl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one, 4′-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl][1,1′-biphenyl]-2-carbonitrile, [1,1′-Biphenyl]-2-carbonitrile, 4′-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-; object_uuid=fo-2ad2c4ec18c081b3
cas_match_labels 1 consensus_match group_key=4'-((2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-ene-3-yl)methyl)(1,1'-biphenyl)-2-carbonitrile||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'138401-24-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2ad2c4ec18c081b3: {'138401-24-8': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
indoorUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1,3-Diazaspiro[4.4]nonane, [1,1′-biphenyl]-2-carbonitrile deriv.', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:138401-24-8', 'https://commonchemistry.cas.org/detail?cas_rn=138401-24-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Butyl-3-[[2′-(cyano)biphenyl-4-yl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:138401-24-8', 'https://commonchemistry.cas.org/detail?cas_rn=138401-24-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-[4-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]benzonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:138401-24-8', 'https://commonchemistry.cas.org/detail?cas_rn=138401-24-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2<em>n</em>-Butyl-3-[[2′-cyanobiphenyl-4-yl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:138401-24-8', 'https://commonchemistry.cas.org/detail?cas_rn=138401-24-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4′-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl][1,1′-biphenyl]-2-carbonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:138401-24-8', 'https://commonchemistry.cas.org/detail?cas_rn=138401-24-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '[1,1′-Biphenyl]-2-carbonitrile, 4′-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:138401-24-8', 'https://commonchemistry.cas.org/detail?cas_rn=138401-24-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=4'-((2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-ene-3-yl)methyl)(1,1'-biphenyl)-2-carbonitrile||dimension=Environmental > media=Ground > geography=Unknown; cas=138401-24-8; added Common Chemistry CAS names as altLabel: 1,3-Diazaspiro[4.4]nonane, [1,1′-biphenyl]-2-carbonitrile deriv., 2-Butyl-3-[[2′-(cyano)biphenyl-4-yl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one, 2-[4-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]benzonitrile, 2<em>n</em>-Butyl-3-[[2′-cyanobiphenyl-4-yl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one, 4′-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl][1,1′-biphenyl]-2-carbonitrile, [1,1′-Biphenyl]-2-carbonitrile, 4′-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-; object_uuid=fo-2ad2c4ec18c081b3
cas_match_labels None {'138401-24-8': 'exactMatch'} group_key=4'-((2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-ene-3-yl)methyl)(1,1'-biphenyl)-2-carbonitrile||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'138401-24-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2ad2c4ec18c081b3: {'138401-24-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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