Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=BMONJCCXMAHADJ-UHFFFAOYSA-N

Formula

C20H13F2N3O3S

Mass

413.4

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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

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

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

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