Compound Identification
SMILES
COC(=O)C1=CC=C(C=C1)C1N(C(=O)C(=O)C1=C(O)C1=CC=C(OCC2=CC=CC(C)=C2)C=C1)C1=NN=C(SCC2=CC=CC=C2Cl)S1
InChIKey
InChIKey=OEAHRQKHHDVAMI-UHFFFAOYSA-N
Formula
C36H28ClN3O6S2
Mass
698.21
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
Benzoic acid esters Benzoyl derivatives Phenol ethers Phenoxy compounds Alkyl aryl ethers Toluenes Alkylarylthioethers Chlorobenzenes Aryl chlorides Pyrrolidine-3-ones Pyrrolidine-2-ones Methyl esters Heteroaromatic compounds Thiadiazoles Tertiary carboxylic acid amides Vinylogous acids Pyrroles Lactams Cyclic ketones Enols Sulfenyl compounds Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Phenoxy compound - Aryl thioether - Phenol ether - Alkyl aryl ether - Toluene - Halobenzene - Alkylarylthioether - Chlorobenzene - Aryl halide - Aryl chloride - Pyrrolidone - Benzenoid - 3-pyrrolidone - 2-pyrrolidone - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Thiadiazole - Pyrrole - Methyl ester - Vinylogous acid - Heteroaromatic compound - Azole - Cyclic ketone - Carboxamide group - Carboxylic acid ester - Ketone - Lactam - Azacycle - Ether - Enol - Sulfenyl compound - Thioether - Carboxylic acid derivative - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - 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