Structure Information
Structure

Compound Identification

SMILES

COC(=O)\C=C1/C[C@@]2(C)O[C@@]11CCO[C@H]3[C@@H]1[C@@H]2C(=O)N3C1=CC(C)=C(C=C1)C#N

InChIKey

InChIKey=GGLGZRCFDYQLOL-ONQMNELCSA-N

Formula

C22H22N2O5

Mass

394.427

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrrolidines

Subclass

Phenylpyrrolidines

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrrolidines

Alternative Parents

Isoindolones Benzonitriles Toluenes Pyrrolidine-2-ones Oxanes Tertiary carboxylic acid amides Enoate esters Pyrroles Methyl esters Oxolanes Lactams Dialkyl ethers Monocarboxylic acids and derivatives Nitriles Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-phenylpyrrolidine - Isoindolone - Isoindoline - Isoindole or derivatives - Benzonitrile - Toluene - Monocyclic benzene moiety - Oxane - Pyrrolidone - 2-pyrrolidone - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Tertiary carboxylic acid amide - Enoate ester - Methyl ester - Pyrrole - Oxolane - Carboxamide group - Carboxylic acid ester - Lactam - Carboxylic acid derivative - Azacycle - Dialkyl ether - Ether - Oxacycle - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Carbonyl group - Organic oxygen compound - Cyanide - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - 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

Previous Back Next