Structure Information
Structure

Compound Identification

SMILES

CC1=C(C)C(=CC=C1)N1CC(CC1=O)C(=O)NC1=C(C#N)C2=C(CCCC2)S1

InChIKey

InChIKey=XPDOKXYNZXNPFK-UHFFFAOYSA-N

Formula

C22H23N3O2S

Mass

393.51

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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

o-Xylenes Pyrrolidinecarboxamides N-arylamides Pyrrolidine-2-ones Thiophenes Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Secondary carboxylic acid amides Lactams Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-phenylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-3-carboxamide - O-xylene - Xylene - N-arylamide - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - Benzenoid - Pyrrole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiophene - Lactam - Secondary carboxylic acid amide - Carboxamide group - Nitrile - Carbonitrile - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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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