Compound Identification
SMILES
OC[C@H](O)CNC(=O)C1=C2C=C(C=CN2N=C1)N1CCC[C@H]1C1=C(F)C=CC(F)=C1
InChIKey
InChIKey=BOZPXXFHLVBUPW-BEFAXECRSA-N
Formula
C21H22F2N4O3
Mass
416.429
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Pyridinecarboxamides Pyrazolopyridines Pyrazole-4-carboxamides Dialkylarylamines Aminopyridines and derivatives Aralkylamines Fluorobenzenes Aryl fluorides Vinylogous amides Pyrroles Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols 1,2-diols Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - Pyrazolopyridine - Pyridinecarboxamide - Pyrazole-4-carboxamide - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aminopyridine - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Azole - Heteroaromatic compound - Vinylogous amide - Pyrazole - Pyrrole - Secondary alcohol - Secondary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - 1,2-diol - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Alcohol - Organohalogen compound - Hydrocarbon derivative - Organofluoride - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Amine - Primary alcohol - 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