Structure Information
Structure

Compound Identification

SMILES

ClC1=CC=CC(=C1)N1C(=O)[C@H](C=NC2(CCCC2)C#N)C2=CC=CC=C2C1=O

InChIKey

InChIKey=LXEHSWMPDVNBCU-LJQANCHMSA-N

Formula

C22H18ClN3O2

Mass

391.86

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Isoquinolines and derivatives

Subclass

1,3-isoquinolinediones

Intermediate Tree Nodes

Not available

Direct Parent

1,3-isoquinolinediones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1,3-isoquinolinedione - Isoquinolone - Tetrahydroisoquinoline - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Shiff base - Aldimine - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carbonitrile - Nitrile - Cyanide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Imine - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1,3-isoquinolinediones. These are isoquinoline derivatives carrying one C=O group at positions 1, and 3 respectively.

External Descriptors

Not available

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