Compound Identification
SMILES
C[C@@]12CN(C[C@](C)(O1)[C@@H]1[C@H]2C(=O)N(C1=O)C1=CC(=C(C=C1)C#N)C(F)(F)F)C1=NC=CC=N1
InChIKey
InChIKey=LLQXHEKZEXNXRO-GQSCTRQFSA-N
Formula
C22H18F3N5O3
Mass
457.413
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
Trifluoromethylbenzenes Benzonitriles Dialkylarylamines Azepanes Aminopyrimidines and derivatives Pyrrolidine-2-ones Morpholines N-substituted carboxylic acid imides Pyrroles Oxolanes Dicarboximides Heteroaromatic compounds Lactams Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Nitriles Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrolidine - Trifluoromethylbenzene - Dialkylarylamine - Benzonitrile - Aminopyrimidine - Azepane - Monocyclic benzene moiety - Morpholine - Oxazinane - Carboxylic acid imide, n-substituted - Benzenoid - Pyrimidine - 2-pyrrolidone - Pyrrolidone - Heteroaromatic compound - Carboxylic acid imide - Dicarboximide - Pyrrole - Oxolane - Amino acid or derivatives - Tertiary amine - Lactam - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Azacycle - Ether - Carbonitrile - Nitrile - Organic nitrogen compound - Amine - Alkyl halide - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Cyanide - Organohalogen 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