Structure Information
Structure

Compound Identification

SMILES

CC1=NN=C(S1)N1C(C(=C(O)C2=CC=C(C)C=C2)C(=O)C1=O)C1=CC=CC=C1

InChIKey

InChIKey=AJVBWAFMANUQKZ-UHFFFAOYSA-N

Formula

C21H17N3O3S

Mass

391.45

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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

Toluenes Pyrrolidine-3-ones Pyrrolidine-2-ones Vinylogous acids Thiadiazoles Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Lactams Cyclic ketones Enols Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

2-phenylpyrrolidine - Toluene - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Benzenoid - Azole - Pyrrole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiadiazole - Vinylogous acid - Lactam - Ketone - Carboxamide group - Cyclic ketone - Enol - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - 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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