Compound Identification
SMILES
CC(C)CCOC1=CC=CC(=C1)C1N(C(=O)C(=O)C1=C(O)C1=CC2=C(OCCO2)C=C1)C1=NN=C(SCC2=C(Cl)C=C(Cl)C=C2)S1
InChIKey
InChIKey=ISIQXNWITAGHAT-UHFFFAOYSA-N
Formula
C33H29Cl2N3O6S2
Mass
698.63
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 Dichlorobenzenes Phenoxy compounds Phenol ethers Alkyl aryl ethers Alkylarylthioethers Aryl chlorides Pyrrolidine-3-ones Pyrrolidine-2-ones Para dioxins Vinylogous acids Thiadiazoles Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Cyclic ketones Lactams Sulfenyl compounds Enols Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - Benzo-1,4-dioxane - Benzodioxane - Phenoxy compound - Aryl thioether - 1,3-dichlorobenzene - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Para-dioxin - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Benzenoid - Azole - Pyrrole - Vinylogous acid - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiadiazole - Ketone - Lactam - Carboxamide group - Cyclic ketone - Azacycle - Carboxylic acid derivative - Oxacycle - Enol - Ether - Sulfenyl compound - Thioether - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur 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