Structure Information
Structure

Compound Identification

SMILES

CC(C)(C(=O)NCCN)C1=CN2C=C(N=C(CC3=CNC4=CC=CC=C34)C2=N1)C1=CC=C(Br)C=C1

InChIKey

InChIKey=QYVDSAFOFYBPJZ-UHFFFAOYSA-N

Formula

C27H27BrN6O

Mass

531.458

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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 - Imidazopyrazine - Halobenzene - Bromobenzene - N-substituted imidazole - Aryl bromide - Monocyclic benzene moiety - Pyrazine - Substituted pyrrole - Aryl halide - Benzenoid - Pyrrole - Imidazole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Carboxylic acid derivative - Azacycle - Amine - Primary aliphatic amine - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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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