Compound Identification
SMILES
COC(=O)C1=C(C)C(C([O-])=C2C(N(CC3=C[NH+]=CC=C3)C(=O)C2=O)C2=CC=CC=C2F)=C(C)N1
InChIKey
InChIKey=IFPTXMREFIGTKI-UHFFFAOYSA-N
Formula
C25H22FN3O5
Mass
463.465
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
Pyrrole carboxylic acids and derivatives Fluorobenzenes Aryl fluorides N-alkylpyrrolidines Substituted pyrroles Pyrrolidine-3-ones Pyrrolidine-2-ones Pyridinium derivatives Vinylogous acids Tertiary carboxylic acid amides Heteroaromatic compounds Methyl esters Tertiary amines Cyclic ketones Lactams Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Pyrrole-2-carboxylic acid or derivatives - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Pyridinium - Pyrrolidone - N-alkylpyrrolidine - 2-pyrrolidone - 3-pyrrolidone - Substituted pyrrole - Heteroaromatic compound - Vinylogous acid - Pyrrole - Methyl ester - Tertiary carboxylic acid amide - Tertiary amine - Cyclic ketone - Carboxamide group - Carboxylic acid ester - Amino acid or derivatives - Ketone - Lactam - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Organohalogen compound - Organofluoride - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic salt - Organic oxide - Organic zwitterion - 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