Structure Information
Structure

Compound Identification

SMILES

CC1(C)C[C@@]2(O[C@@H](COC3=CC=C(Cl)C=C3)CN2C1=O)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=QZJUDAGVHKMILI-WIYYLYMNSA-N

Formula

C21H21Cl2NO3

Mass

406.3

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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

Phenol ethers Phenoxy compounds Alkyl aryl ethers Chlorobenzenes N-alkylpyrrolidines Aryl chlorides Pyrrolidine-2-ones Tertiary carboxylic acid amides Oxazolidines Pyrroles Lactams Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-phenylpyrrolidine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Benzenoid - Oxazolidine - Tertiary carboxylic acid amide - Pyrrole - Carboxamide group - Lactam - Oxacycle - Azacycle - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen 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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