Compound Identification
SMILES
OC(=C1C(N(C(=O)C1=O)C1=NN=C(SCC2=CC=CC=C2Cl)S1)C1=CC=CC=C1F)C1=CC2=C(OCCO2)C=C1
InChIKey
InChIKey=NPUMQXUHTMQXFS-UHFFFAOYSA-N
Formula
C28H19ClFN3O5S2
Mass
596.04
Taxonomic Classification
Taxonomy Tree
-
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
Benzo-1,4-dioxanes Alkyl aryl ethers Alkylarylthioethers Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Pyrrolidine-3-ones Pyrrolidine-2-ones Para dioxins Vinylogous acids Thiadiazoles Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Cyclic ketones Lactams Azacyclic compounds Enols Oxacyclic compounds Sulfenyl compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - Benzodioxane - Benzo-1,4-dioxane - Aryl thioether - Halobenzene - Fluorobenzene - Chlorobenzene - Alkyl aryl ether - Alkylarylthioether - Aryl fluoride - Aryl chloride - Aryl halide - Para-dioxin - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Benzenoid - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - Thiadiazole - Pyrrole - Vinylogous acid - Carboxamide group - Lactam - Ketone - Cyclic ketone - Oxacycle - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Enol - Ether - Hydrocarbon derivative - Organosulfur compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Organofluoride - 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