Compound Identification
SMILES
CC(C)N1CCN(CC1)C(=O)[C@H]1CCN(C1)C1=C(F)C=C(C=C1)C1=NC(C)=NO1
InChIKey
InChIKey=ZYBCHPBYMVPNQH-KRWDZBQOSA-N
Formula
C21H28FN5O2
Mass
401.486
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
Phenyloxadiazoles Aniline and substituted anilines Dialkylarylamines Pyrrolidinecarboxamides Fluorobenzenes N-alkylpiperazines Aryl fluorides Heteroaromatic compounds Tertiary carboxylic acid amides Pyrroles Trialkylamines Amino acids and derivatives Azacyclic compounds Oxacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - 1-phenylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-3-carboxamide - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Fluorobenzene - Halobenzene - N-alkylpiperazine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Tertiary carboxylic acid amide - Azole - Oxadiazole - 1,2,4-oxadiazole - Pyrrole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organohalogen compound - Organofluoride - Organic oxide - Amine - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic 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