Compound Identification
SMILES
OCC1=CC=C(O1)C1C2=CCC3C(C2CC2C(=O)N(NC4=C(Cl)C=C(C=N4)C(F)(F)F)C(=O)C12C1=CC=C(Cl)C=C1)C(=O)N(CCC1=CC=C(O)C=C1)C3=O
InChIKey
InChIKey=AWYSWVMBXJLMHA-UHFFFAOYSA-N
Formula
C39H31Cl2F3N4O7
Mass
795.59
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass Phenylpyrrolidines
-
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
Isoindolones 1-hydroxy-2-unsubstituted benzenoids Chlorobenzenes Pyrrolidine-2-ones Pyridines and derivatives Aryl chlorides N-substituted carboxylic acid imides N-alkylpyrrolidines Imidolactams Pyrroles Dicarboximides Furans Heteroaromatic compounds Carboxylic acid hydrazides Lactams Azacyclic compounds Oxacyclic compounds Organic oxides Organochlorides Organofluorides Organonitrogen compounds Primary alcohols Carbonyl compounds Aromatic alcohols Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpyrrolidine - Isoindolone - Isoindoline - Isoindole or derivatives - Chlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Phenol - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Pyridine - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Benzenoid - Imidolactam - Pyrrole - Carboxylic acid imide - Dicarboximide - Furan - Heteroaromatic compound - Carboxylic acid hydrazide - Lactam - Oxacycle - Azacycle - Carboxylic acid derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - Aromatic alcohol - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - Primary alcohol - Alcohol - Alkyl fluoride - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen 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