Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC(OC)=C1OC)C(=O)N1CCC(CCN2CCC(CC2)NC2=NC3=CC=CC=C3N2CC2=CC=C(Cl)S2)(C1)C1=CC(F)=C(F)C=C1

InChIKey

InChIKey=NQIHRJOYTBQVEJ-UHFFFAOYSA-N

Formula

C39H42ClF2N5O4S

Mass

750.3

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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

3-phenylpyrrolidine - Benzoic acid or derivatives - Benzimidazole - Benzamide - Phenoxy compound - Anisole - Phenol ether - Benzoyl - N-acylpyrrolidine - Methoxybenzene - 2,5-disubstituted thiophene - Halobenzene - Fluorobenzene - Aralkylamine - Alkyl aryl ether - Monocyclic benzene moiety - Aminoimidazole - N-substituted imidazole - Piperidine - Benzenoid - Aryl halide - Aryl fluoride - Aryl chloride - Heteroaromatic compound - Azole - Thiophene - Tertiary carboxylic acid amide - Pyrrole - Imidazole - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Ether - Carboxylic acid derivative - Azacycle - Organohalogen compound - Organic oxygen compound - Amine - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - 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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