Compound Identification
SMILES
COC1=C(C=C(NC2=CC=C(CCNC[C@H](O)C3=C4C=CC(=O)NC4=C(O)C=C3)C=C2)C=C1)C1=CC=CC(=C1)C#N
InChIKey
InChIKey=SVJCOENLCSINIL-PMERELPUSA-N
Formula
C33H30N4O4
Mass
546.627
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Biphenyls and derivatives
- Level 5 Biphenylcarbonitriles
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Subclass
Biphenyls and derivatives
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Biphenyls and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Biphenylcarbonitriles
Alternative Parents
8-hydroxyquinolines Hydroquinolones Hydroxyquinolines Hydroquinolines Aminophenyl ethers Phenethylamines Methoxyanilines Anisoles Phenoxy compounds Benzonitriles Methoxybenzenes 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Pyridinones Aralkylamines Primary aromatic amines Heteroaromatic compounds 1,2-aminoalcohols Secondary alcohols Lactams Dialkylamines Azacyclic compounds Nitriles Organic oxides Aromatic alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Biphenylcarbonitrile - Dihydroquinolone - Hydroxyquinoline - 8-hydroxyquinoline - Dihydroquinoline - Quinoline - Aminophenyl ether - Phenethylamine - Methoxyaniline - Anisole - Benzonitrile - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Aralkylamine - Alkyl aryl ether - Pyridinone - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Pyridine - Primary aromatic amine - Heteroaromatic compound - 1,2-aminoalcohol - Secondary alcohol - Lactam - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Ether - Carbonitrile - Nitrile - Organic oxide - Aromatic alcohol - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxygen compound - Cyanide - Alcohol - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as biphenylcarbonitriles. These are organic compounds containing an acetonitrile with one hydrogen replaced by a biphenyl group.
External Descriptors
Not available