Structure Information
Structure

Compound Identification

SMILES

COCCN1C(=O)C2=CC=CC=C2C(C(=O)NC2=NC(C)=C(C)S2)C11CCCC1

InChIKey

InChIKey=GEWIKFSEQFZMOP-UHFFFAOYSA-N

Formula

C22H27N3O3S

Mass

413.54

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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 - 2,4,5-trisubstituted 1,3-thiazole - N-arylamide - Benzenoid - Azole - Tertiary carboxylic acid amide - Heteroaromatic compound - Thiazole - Amino acid or derivatives - Carboxamide group - Lactam - Secondary carboxylic acid amide - Tertiary amine - Ether - Dialkyl ether - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Amine - Carbonyl group - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - 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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