Structure Information
Structure

Compound Identification

SMILES

COC1=CC2=C(C=C1)N=C(S2)N1C(C(=C(O)C2=CC3=C(OC(C)C3)C=C2)C(=O)C1=O)C1=CC(OC)=C(O)C(Br)=C1

InChIKey

InChIKey=DXVHJJDRGKOWGR-UHFFFAOYSA-N

Formula

C29H23BrN2O7S

Mass

623.47

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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 heteropolycyclic compounds

Substituents

2-phenylpyrrolidine - Methoxyphenol - Coumaran - 1,3-benzothiazole - Phenoxy compound - Anisole - 2-halophenol - 2-bromophenol - Methoxybenzene - Phenol ether - Alkyl aryl ether - Halobenzene - Bromobenzene - Phenol - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Vinylogous acid - Thiazole - Pyrrole - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - Ketone - Lactam - Cyclic ketone - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Enol - Ether - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organobromide - Organic oxide - Hydrocarbon derivative - Organohalogen compound - 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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