Compound Identification
SMILES
CC1=NN=C(S1)N1C(C(=C(O)C2=CC3=C(OCCO3)C=C2)C(=O)C1=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=VCNZSEQBWYONOF-UHFFFAOYSA-N
Formula
C22H16ClN3O5S
Mass
469.9
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
Benzo-1,4-dioxanes Alkyl aryl ethers Chlorobenzenes Pyrrolidine-3-ones Pyrrolidine-2-ones Para dioxins Aryl chlorides Vinylogous acids Thiadiazoles Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Cyclic ketones Lactams Enols Oxacyclic compounds Azacyclic compounds Organic oxides Organochlorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - Benzodioxane - Benzo-1,4-dioxane - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Para-dioxin - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Thiadiazole - Heteroaromatic compound - Pyrrole - Vinylogous acid - Azole - Cyclic ketone - Carboxamide group - Ketone - Lactam - Ether - Enol - Carboxylic acid derivative - Azacycle - Oxacycle - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organohalogen compound - Organochloride - 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