Structure Information
Structure

Compound Identification

SMILES

O=C1[C@@H](CCN1C1=CC=CC=C1)NCCC1=CN=CN1CC1=CC=C(C=C1)C#N

InChIKey

InChIKey=SBIMUGAYTIMITB-JOCHJYFZSA-N

Formula

C23H23N5O

Mass

385.471

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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

Alpha amino acids and derivatives Benzonitriles Aralkylamines Pyrrolidine-2-ones N-substituted imidazoles Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Lactams Nitriles Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

1-phenylpyrrolidine - Alpha-amino acid or derivatives - Benzonitrile - Aralkylamine - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - 2-pyrrolidone - Pyrrolidone - Azole - Imidazole - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Amino acid or derivatives - Carboxamide group - Lactam - Nitrile - Carbonitrile - Azacycle - Secondary aliphatic amine - Carboxylic acid derivative - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Cyanide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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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