Structure Information
Structure

Compound Identification

SMILES

ClC1=CC=C(C=C1)C(=O)C=CN1C2CC(C#N)C1C(=O)C1=CC=CC=C21

InChIKey

InChIKey=PADBAQUCVWUBIV-UHFFFAOYSA-N

Formula

C21H15ClN2O2

Mass

362.81

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Isoquinolines and derivatives

Subclass

Isoquinolones and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Isoquinolones and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoquinolone - Tetrahydroisoquinoline - Benzoyl - Aryl alkyl ketone - Aryl ketone - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Enone - Pyrrolidine - Vinylogous amide - Alpha,beta-unsaturated ketone - Tertiary aliphatic amine - Tertiary amine - Ketone - Allylamine - Enamine - Nitrile - Carbonitrile - Azacycle - Organic oxygen compound - Hydrocarbon derivative - Amine - Organohalogen compound - Organochloride - Organic oxide - Cyanide - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.

External Descriptors

Not available

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