Structure Information
Structure

Compound Identification

SMILES

COC1=C(C=CC(NC2=NN(C(N)=N2)C2=CC=C(C=C2)C2=CC=CC(=C2)C#N)=C1)C1=CN=CO1

InChIKey

InChIKey=BUBNTROTRDRKQE-UHFFFAOYSA-N

Formula

C25H19N7O2

Mass

449.474

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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 heteromonocyclic compounds

Substituents

Biphenylcarbonitrile - Phenyltriazole - Phenyl-1,2,4-triazole - Phenyl-1,3-oxazole - Methoxyaniline - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Anisole - Methoxybenzene - Benzonitrile - Alkyl aryl ether - Triazole - 1,2,4-triazole - Oxazole - Azole - Heteroaromatic compound - Oxacycle - Ether - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Cyanide - Hydrocarbon derivative - Primary amine - Organic nitrogen compound - Aromatic heteromonocyclic 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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