Compound Identification
SMILES
OCC1=CC=C(O1)C1C(C=C)=CCC2C(=O)N(NC3=C(Cl)C=C(C=N3)C(F)(F)F)C(=O)C12C1=CC=C(Cl)C=C1
InChIKey
InChIKey=MBDVNJDETHVHRQ-UHFFFAOYSA-N
Formula
C27H20Cl2F3N3O4
Mass
578.37
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
Isoindolones Isoindoles Chlorobenzenes Pyridines and derivatives Aryl chlorides Imidolactams Pyrrolidine-2-ones Dicarboximides Furans Heteroaromatic compounds Pyrroles Carboxylic acid hydrazides Lactams Azacyclic compounds Oxacyclic compounds Organochlorides Hydrocarbon derivatives Organofluorides Organonitrogen compounds Organopnictogen compounds Alkyl fluorides Primary alcohols Carbonyl compounds Organic oxides Aromatic alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpyrrolidine - Isoindolone - Isoindole or derivatives - Isoindole - Isoindoline - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - 2-pyrrolidone - Pyrrolidone - Pyridine - Heteroaromatic compound - Furan - Pyrrole - Dicarboximide - Lactam - Carboxylic acid hydrazide - Oxacycle - Azacycle - Carboxylic acid derivative - Alcohol - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary alcohol - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - 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