Structure Information
Structure

Compound Identification

SMILES

CC(=O)[C@H]1[C@H](C2=CC=C(F)C=C2)C(C#N)(C#N)[C@@H]2N1C=CC1=CC=CC=C21

InChIKey

InChIKey=NURNUALDLDBKNZ-PCCBWWKXSA-N

Formula

C22H16FN3O

Mass

357.388

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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

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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3-phenylpyrrolidine - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha-aminoketone - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Ketone - Enamine - Azacycle - Carbonitrile - Nitrile - Organooxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Cyanide - Organic oxygen compound - 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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