Structure Information
Structure

Compound Identification

SMILES

ClC1=CC=CC=C1C(=O)OC1=CC2=CC=CC=C2C(C=C(C#N)C2=NN=C3CCCCCN23)=C1

InChIKey

InChIKey=VZQUORNTMOVBPK-UHFFFAOYSA-N

Formula

C27H21ClN4O2

Mass

468.94

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Naphthalenes

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Naphthalenes

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoate ester - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Naphthalene - Phenol ester - Benzoic acid or derivatives - Benzoyl - Azepine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Vinylogous halide - 1,2,4-triazole - Carboxylic acid ester - Nitrile - Carbonitrile - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Cyanide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.

External Descriptors

Not available

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