Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(C=C1)[C@@H]1[C@H](C(O)=O)C2=CC=CC=C2C(=O)N1CCCCl

InChIKey

InChIKey=PORWWRQKDWMLQF-RTBURBONSA-N

Formula

C21H22ClNO5

Mass

403.86

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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 - O-dimethoxybenzene - Dimethoxybenzene - Tetrahydroisoquinoline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Organonitrogen compound - Hydrocarbon derivative - Alkyl chloride - Organohalogen compound - Organochloride - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Alkyl halide - 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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