Structure Information
Structure

Compound Identification

SMILES

CCC1=C(SC(CC2=CC(=CC=C2)C(F)(F)F)=N1)C1CCN(CC2CN(CC2C2=CC(C)=CC=C2)C(CC2CC2)C(O)=O)CC1

InChIKey

InChIKey=ZVKNGIDKIQTGGQ-UHFFFAOYSA-N

Formula

C36H44F3N3O2S

Mass

639.82

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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

3-phenylpyrrolidine - Alpha-amino acid - Trifluoromethylbenzene - Alpha-amino acid or derivatives - Carbocyclic fatty acid - 2,4,5-trisubstituted 1,3-thiazole - Toluene - Aralkylamine - Fatty acyl - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Piperidine - Heteroaromatic compound - Azole - Pyrrole - Thiazole - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Alkyl fluoride - Organohalogen compound - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Alkyl halide - Organic nitrogen 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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