Structure Information
Structure

Compound Identification

SMILES

CCC1=CC2=C(C=C1)N=C(S2)N1[C@@H](C(=C(O)C2=CC=C(F)C=C2)C(=O)C1=O)C1=CC=C(Br)C=C1

InChIKey

InChIKey=GUNMZNGXYWSPOT-JOCHJYFZSA-N

Formula

C26H18BrFN2O3S

Mass

537.4

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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

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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-phenylpyrrolidine - 1,3-benzothiazole - Halobenzene - Fluorobenzene - Bromobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrrolidone - 3-pyrrolidone - 2-pyrrolidone - Tertiary carboxylic acid amide - Pyrrole - Thiazole - Vinylogous acid - Heteroaromatic compound - Azole - Cyclic ketone - Carboxamide group - Ketone - Lactam - Enol - Carboxylic acid derivative - Azacycle - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organohalogen compound - Organobromide - 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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