Structure Information
Structure

Compound Identification

SMILES

ClC1=CC=CC(=C1)N1CCCC1=NC1=C(C=C(Br)C=C1)C#N

InChIKey

InChIKey=XXDUOVCVYYHRBB-UHFFFAOYSA-N

Formula

C17H13BrClN3

Mass

374.67

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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

Benzonitriles Chlorobenzenes Bromobenzenes Imidolactams Aryl chlorides Aryl bromides Pyrroles Propargyl-type 1,3-dipolar organic compounds Nitriles Carboxamidines Azacyclic compounds Organochlorides Organobromides Hydrocarbon derivatives

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

1-phenylpyrrolidine - Benzonitrile - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrrole - Nitrile - Carbonitrile - Azacycle - Carboxylic acid amidine - Amidine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organochloride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Cyanide - Organic nitrogen compound - Organonitrogen compound - Aromatic heteromonocyclic 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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