Compound Identification
SMILES
CC1CC2=C(O1)C=CC(=C2)C(O)=C1C(N(C(=O)C1=O)C1=NN=C(SCC2=CC=CC=C2Cl)S1)C1=CC(OCC2=CC=CC=C2)=CC=C1
InChIKey
InChIKey=HIQIBUARVMFXSE-UHFFFAOYSA-N
Formula
C36H28ClN3O5S2
Mass
682.21
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
Coumarans Phenoxy compounds Phenol ethers Alkyl aryl ethers Alkylarylthioethers Chlorobenzenes Pyrrolidine-3-ones Pyrrolidine-2-ones Aryl chlorides Vinylogous acids Thiadiazoles Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Cyclic ketones Lactams Enols Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Organic oxides Organochlorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - Coumaran - Phenoxy compound - Aryl thioether - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Azole - Heteroaromatic compound - Vinylogous acid - Pyrrole - Tertiary carboxylic acid amide - Thiadiazole - Cyclic ketone - Carboxamide group - Lactam - Ketone - Thioether - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Enol - Oxacycle - Ether - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen 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