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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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Class
Pyrrolidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
Trifluoromethylbenzenes Alpha amino acids Carbocyclic fatty acids 2,4,5-trisubstituted thiazoles Toluenes Aralkylamines Piperidines N-alkylpyrrolidines Pyrroles Heteroaromatic compounds Trialkylamines Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organofluorides Alkyl fluorides Organic oxides Carbonyl compounds
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