Compound Identification
SMILES
CC(C)(C#N)[C@H]1OC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2C2=C(F)C=C(F)C=C2)C2CCOCC2)C2=CC(F)=C(Cl)C=C12
InChIKey
InChIKey=GTNSRGRUCFLVRE-IRYADYCUSA-N
Formula
C32H35ClF3N3O3
Mass
602.1
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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Class
Pyrrolidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
Isobenzofurans Isocoumarans N-acylpiperidines Pyrrolidinecarboxamides Fluorobenzenes Aralkylamines Aryl fluorides Oxanes N-alkylpyrrolidines Aryl chlorides Pyrroles Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Dialkyl ethers Nitriles Azacyclic compounds Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpyrrolidine - N-acyl-piperidine - Isocoumaran - Isobenzofuran - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-3-carboxamide - Halobenzene - Aralkylamine - Fluorobenzene - Aryl chloride - Oxane - Aryl fluoride - Piperidine - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Tertiary carboxylic acid amide - Pyrrole - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Carboxamide group - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Carbonitrile - Nitrile - Cyanide - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organofluoride - 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