Compound Identification
SMILES
CC1=CC=C(C=C1)N1C(=O)[C@H]2[C@H]3O[C@](CNC(=S)NC4=CC=C(Cl)C=C4)(C=C3)[C@@H]2C1=O
InChIKey
InChIKey=WZOZJSHHCQGURG-KGYLXKDPSA-N
Formula
C23H20ClN3O3S
Mass
453.94
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
Isoindolones N-phenylthioureas Toluenes Chlorobenzenes Aryl chlorides Pyrrolidine-2-ones N-substituted carboxylic acid imides Pyrroles Dicarboximides Dihydrofurans Oxolanes Lactams Thioureas Azacyclic compounds Dialkyl ethers Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrolidine - Isoindolone - N-phenylthiourea - Isoindoline - Isoindole or derivatives - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 2-pyrrolidone - Pyrrolidone - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Dihydrofuran - Pyrrole - Oxolane - Lactam - Thiourea - Carboxylic acid derivative - Dialkyl ether - Azacycle - Oxacycle - Ether - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organosulfur compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic 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