Compound Identification
SMILES
CC(C)OC(=O)C1=C(C)N=C2SC(=CC3=CC=C(C=C3)N3CCCC3)C(=O)N2C1C1=CC=CC=C1Cl
InChIKey
InChIKey=YLQXKTABISMWTL-UHFFFAOYSA-N
Formula
C28H28ClN3O3S
Mass
522.06
Taxonomic Classification
Taxonomy Tree
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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
Aniline and substituted anilines Dialkylarylamines Chlorobenzenes Aryl chlorides Thiazoles Pyrroles Heteroaromatic compounds Enoate esters Amino acids and derivatives Lactams Isothioureas Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Organochlorides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrolidine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Enoate ester - Thiazole - Azole - Pyrrole - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Tertiary amine - Isothiourea - Carboxylic acid ester - Amino acid or derivatives - Lactam - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organohalogen 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