Compound Identification
SMILES
CC(C)(C)OC(=O)NC[C@@H]1CCN(C1)C1=C(F)C=C(C(=O)NNC(=O)OC(C)(C)C)C(NC2CC2)=C1Cl
InChIKey
InChIKey=XAQBCOMOVGTDFS-AWEZNQCLSA-N
Formula
C25H37ClFN5O5
Mass
542.05
Taxonomic Classification
Taxonomy Tree
-
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
3-halobenzoic acids and derivatives Aminobenzoic acids and derivatives Phenylalkylamines Aniline and substituted anilines Dialkylarylamines Benzoyl derivatives Secondary alkylarylamines Fluorobenzenes Chlorobenzenes Aryl chlorides Hydrazinecarboxylic acid esters Aryl fluorides Vinylogous amides Pyrroles Carbamate esters Carboxylic acid hydrazides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrolidine - Aminobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Chlorobenzene - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Hydrazinecarboxylic acid ester - Aryl chloride - Aryl fluoride - Monocyclic benzene moiety - Aryl halide - Benzenoid - Vinylogous amide - Pyrrole - Carbamic acid ester - Amino acid or derivatives - Carboxylic acid hydrazide - Tertiary amine - Carboxylic acid derivative - Azacycle - Secondary amine - Amine - Organohalogen compound - Carbonyl group - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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