Structure Information
Structure

Compound Identification

SMILES

NC1=NC2=C(CC3=C(N(CC4=CC=C(Cl)C=C4)C4=CC=CC=C34)C(=O)N2)C(N)=N1

InChIKey

InChIKey=IBMDVCKQLRMOIQ-UHFFFAOYSA-N

Formula

C21H17ClN6O

Mass

404.86

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Indoles and derivatives

Subclass

Indolecarboxylic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Indolecarboxylic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Indolecarboxylic acid derivative - Pyrroloazepine - 3-alkylindole - N-alkylindole - Indole - 2-heteroaryl carboxamide - Aminopyrimidine - Halobenzene - Chlorobenzene - Azepine - Benzenoid - Aryl halide - Substituted pyrrole - Aryl chloride - Pyrimidine - Imidolactam - Monocyclic benzene moiety - Pyrrole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Lactam - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Primary amine - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.

External Descriptors

Not available

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