Structure Information
Structure

Compound Identification

SMILES

CCCN1C(C(C(O)=O)C2=CC=CC=C2C1=O)C1=NC2=C(C=CC=C2Br)N1C

InChIKey

InChIKey=KQPITULMNOQXPU-UHFFFAOYSA-N

Formula

C21H20BrN3O3

Mass

442.313

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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 - Benzimidazole - Aryl bromide - Aryl halide - N-substituted imidazole - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Azole - Imidazole - Amino acid - Tertiary amine - Amino acid or derivatives - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Amine - Organic oxygen compound - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxide - 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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