Structure Information
Structure

Compound Identification

SMILES

FC1=CC=C(C=C1)[C@@H]1[C@H](N2C=CC3=CC=CC=C3[C@@H]2C1(C#N)C#N)C(=O)C1=CC=CS1

InChIKey

InChIKey=KHTWMFGHUATBSM-AOHZBQACSA-N

Formula

C25H16FN3OS

Mass

425.48

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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

Aryl alkyl ketones Fluorobenzenes Aralkylamines Aryl fluorides Thiophenes Pyrroles Heteroaromatic compounds Alpha-amino ketones Trialkylamines Nitriles Enamines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3-phenylpyrrolidine - Aryl ketone - Aryl alkyl ketone - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiophene - Pyrrole - Alpha-aminoketone - Tertiary aliphatic amine - Tertiary amine - Ketone - Azacycle - Enamine - Carbonitrile - Nitrile - Organic oxide - Organooxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Cyanide - Organohalogen compound - Organofluoride - Organonitrogen 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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