Structure Information
Structure

Compound Identification

SMILES

CCOCCCNC(=O)C1=C(N)N(C2=NC3=CC=CC=C3N=C12)C1=CC(Br)=CC=C1

InChIKey

InChIKey=FCLDWBBDKKLUDS-UHFFFAOYSA-N

Formula

C22H22BrN5O2

Mass

468.355

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrroles

Subclass

Substituted pyrroles

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrroles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-phenylpyrrole - Quinoxaline - Pyrrolopyrazine - Pyrrole-3-carboxamide - Pyrrole-3-carboxylic acid or derivatives - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyrazine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Primary amine - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.

External Descriptors

Not available

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