Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)N1CCC(C1)C(C#N)C#N

InChIKey

InChIKey=PQZXIXVHFHRBSR-UHFFFAOYSA-N

Formula

C18H21N3O2

Mass

311.385

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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 heteromonocyclic compounds

Substituents

1-phenylpyrrolidine - Aminobenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - Pyrrole - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Nitrile - Carbonitrile - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Amine - Cyanide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organic oxide - 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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