Structure Information
Structure

Compound Identification

SMILES

CCCCC1=NC(Cl)=C(CO)N1CC1=CC=C(C=C1)C1=C(C=CC(=C1)C#N)C1=NNN=N1

InChIKey

InChIKey=LATFLKWVARBGTD-UHFFFAOYSA-N

Formula

C23H22ClN7O

Mass

447.93

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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 - Phenyltetrazole - 1,2,4,5-tetrasubstituted imidazole - Benzonitrile - Aryl chloride - Aryl halide - N-substituted imidazole - Azole - Heteroaromatic compound - Tetrazole - Imidazole - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary alcohol - Aromatic alcohol - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Alcohol - 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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