Structure Information
Structure

Compound Identification

SMILES

COCC1=NN=C(NC(=O)[C@H]2CN(C(=O)C2)C2=CC=CC(C)=C2C)S1

InChIKey

InChIKey=ABNMXMFJQYYOES-GFCCVEGCSA-N

Formula

C17H20N4O3S

Mass

360.43

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

o-Xylenes Pyrrolidinecarboxamides N-arylamides Pyrrolidine-2-ones Thiadiazoles Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Secondary carboxylic acid amides Lactams Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

1-phenylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-3-carboxamide - N-arylamide - O-xylene - Xylene - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - Benzenoid - Thiadiazole - Tertiary carboxylic acid amide - Pyrrole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - 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

Previous Back Next