Compound Identification
SMILES
CC1=CC=CC=C1C1=NN=C(O1)SCC(=O)NC1=C(C=C(C=C1)C(F)(F)F)N1CCCC1
InChIKey
InChIKey=OCZFZRNGMMATRQ-UHFFFAOYSA-N
Formula
C22H21F3N4O2S
Mass
462.49
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
Trifluoromethylbenzenes 2'-Aminoanilides Aniline and substituted anilines Dialkylarylamines N-arylamides Toluenes Alkylarylthioethers 1,3,4-oxadiazoles Pyrroles Heteroaromatic compounds Amino acids and derivatives Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Sulfenyl compounds Alkyl fluorides Carbonyl compounds Hydrocarbon derivatives Organofluorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrolidine - 2'-aminoanilide - Trifluoromethylbenzene - Anilide - Tertiary aliphatic/aromatic amine - N-arylamide - Dialkylarylamine - Aniline or substituted anilines - Aryl thioether - Alkylarylthioether - Toluene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Oxadiazole - Pyrrole - 1,3,4-oxadiazole - Amino acid or derivatives - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Azacycle - Oxacycle - Carboxylic acid derivative - Sulfenyl compound - Thioether - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Alkyl fluoride - Carbonyl group - Alkyl halide - Amine - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - 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