Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Biphenyls and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Biphenylcarbonitriles

Alternative Parents

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

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