Structure Information
Structure

Compound Identification

SMILES

CC(C)CN1C(=NC2=CC=CC=C12)[C@@H]1CN(C(=O)C1)C1=CC(Br)=CC=C1

InChIKey

InChIKey=JALPLCRRHXYLSR-HNNXBMFYSA-N

Formula

C21H22BrN3O

Mass

412.331

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrrolidines

Subclass

Phenylpyrrolidines

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrrolidines

Alternative Parents

Benzimidazoles Bromobenzenes Pyrrolidine-2-ones N-substituted imidazoles Aryl bromides Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Lactams Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-phenylpyrrolidine - Benzimidazole - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - 2-pyrrolidone - Pyrrolidone - Azole - Imidazole - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.

External Descriptors

Not available

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