Structure Information
Structure

Compound Identification

SMILES

OCCNC1=C2C=CC=C3C(=O)N(C(=O)C(C=C1)=C23)C1=CC=CC=C1Br

InChIKey

InChIKey=UNQABHUNAYQXFC-UHFFFAOYSA-N

Formula

C20H15BrN2O3

Mass

411.255

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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 - Naphthalene - Bromobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - Amino acid or derivatives - 1,2-aminoalcohol - Secondary amine - Azacycle - Alkanolamine - Carboxylic acid derivative - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Amine - Alcohol - Hydrocarbon derivative - Organooxygen compound - Primary alcohol - Organohalogen compound - Organobromide - 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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