Compound Identification
SMILES
COC1=CC=CC=C1N1C(=O)C[C@@H](SC(N)=[NH+]\N=C(\C)C2=CC(F)=C(OC)C=C2)C1=O
InChIKey
InChIKey=DAMURQGCZMUIOB-HUTJOEHLSA-O
Formula
C21H22FN4O4S
Mass
445.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Methoxyanilines Anisoles Methoxybenzenes Phenoxy compounds S-alkylisothiosemicarbazones Alkyl aryl ethers Fluorobenzenes Aryl fluorides Pyrrolidine-2-ones N-substituted carboxylic acid imides Thiosemicarbazones Pyrroles Dicarboximides Lactams Sulfenyl compounds Azacyclic compounds Carboximidamides Organofluorides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrolidine - Methoxyaniline - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - S-alkylisothiosemicarbazone - Fluorobenzene - Halobenzene - Alkyl aryl ether - Isothiosemicarbazone - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Thiosemicarbazone - 2-pyrrolidone - Pyrrolidone - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Pyrrole - Lactam - Carboxylic acid derivative - Azacycle - Ether - Sulfenyl compound - Carboximidamide - Organic oxide - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Organic cation - 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