Structure Information
Structure

Compound Identification

SMILES

NC(S[C@H]1CC(=O)N(C1=O)C1=CC=C(Br)C=C1)=N\N=C/C1=CC=CC=C1

InChIKey

InChIKey=XYDIOVYPOLHARC-SYZMQFJCSA-N

Formula

C18H15BrN4O2S

Mass

431.31

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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

Bromobenzenes Pyrrolidine-2-ones N-substituted carboxylic acid imides Aryl bromides Pyrroles Dicarboximides Lactams Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

1-phenylpyrrolidine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - 2-pyrrolidone - Pyrrolidone - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Pyrrole - Lactam - Carboxylic acid derivative - Azacycle - Sulfenyl compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organohalogen compound - Organobromide - 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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