Structure Information
Structure

Compound Identification

SMILES

CC(NC(=O)C1=COC(=N1)C(N)CC1=CNC2=CC=CC=C12)C1=CC=C(Br)C=C1

InChIKey

InChIKey=OWNPZSRRMGUYKM-UHFFFAOYSA-N

Formula

C22H21BrN4O2

Mass

453.34

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Indoles and derivatives

Subclass

Indoles

Intermediate Tree Nodes

Not available

Direct Parent

3-alkylindoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3-alkylindole - 2-heteroaryl carboxamide - 2,4-disubstituted 1,3-oxazole - Bromobenzene - Halobenzene - Aralkylamine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Azole - Oxazole - Pyrrole - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Primary amine - Primary aliphatic amine - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.

External Descriptors

Not available

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