Compound Identification
SMILES
CC(=O)[C@H]1[C@H](C2=CC=C(Cl)C=C2)C(C#N)(C#N)[C@H]2N1C=CC1=CC=CC=C21
InChIKey
InChIKey=YNXUKJJNRDKGES-ACRUOGEOSA-N
Formula
C22H16ClN3O
Mass
373.84
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
Chlorobenzenes Aralkylamines Aryl chlorides Pyrroles Alpha-amino ketones Trialkylamines Nitriles Enamines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpyrrolidine - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrrole - Alpha-aminoketone - Tertiary aliphatic amine - Tertiary amine - Ketone - Azacycle - Enamine - Carbonitrile - Nitrile - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Amine - Organooxygen compound - Organic oxide - Cyanide - 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