Compound Identification
SMILES
COC1=CC([C@@H]2CCCN2C(=O)CCC2=C(C)NC(SC(F)F)=NC2=O)=C(OC)C=C1
InChIKey
InChIKey=NHNCOEYHEBCANV-INIZCTEOSA-N
Formula
C21H25F2N3O4S
Mass
453.5
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
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
Dimethoxybenzenes Anisoles N-acylpyrrolidines Phenoxy compounds Alkyl aryl ethers Alkylarylthioethers Pyrimidones Hydropyrimidines Heteroaromatic compounds Tertiary carboxylic acid amides Vinylogous amides Pyrroles Sulfenyl compounds Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - P-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Aryl thioether - Anisole - N-acylpyrrolidine - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Alkylarylthioether - Monocyclic benzene moiety - Hydropyrimidine - Pyrimidine - Benzenoid - Tertiary carboxylic acid amide - Pyrrole - Vinylogous amide - Heteroaromatic compound - Carboxamide group - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Ether - Alkyl halide - Organohalogen compound - Organic oxide - Alkyl fluoride - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen 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