Structure Information
Structure

Compound Identification

SMILES

CC1=CC(C(O)=C2C(N(C(=O)C2=O)C2=NN=C(SCC3=CC=C(Cl)C=C3)S2)C2=CC(Br)=CC=C2)=C(C)C=C1

InChIKey

InChIKey=ZBBKPYSSVZOQEZ-UHFFFAOYSA-N

Formula

C28H21BrClN3O3S2

Mass

626.97

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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

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

2-phenylpyrrolidine - Aryl thioether - Xylene - P-xylene - Bromobenzene - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl bromide - 3-pyrrolidone - 2-pyrrolidone - Pyrrolidone - Aryl chloride - Heteroaromatic compound - Vinylogous acid - Azole - Thiadiazole - Tertiary carboxylic acid amide - Pyrrole - Cyclic ketone - Carboxamide group - Ketone - Lactam - Sulfenyl compound - Carboxylic acid derivative - Azacycle - Thioether - Enol - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organic oxygen compound - Carbonyl group - Organobromide - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen 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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