Compound Identification
SMILES
CCCCOC1=CC=CC(=C1)C1N(C(=O)C(=O)C1=C(O)C1=C(C)N=C2C=CC=CN12)C1=NN=C(SCC2=CC=CC=C2Cl)S1
InChIKey
InChIKey=LKGPXQRZAVZVPF-UHFFFAOYSA-N
Formula
C32H28ClN5O4S2
Mass
646.18
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
Imidazo[1,2-a]pyridines Imidazopyridines Phenol ethers Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Alkylarylthioethers N-substituted imidazoles Aryl chlorides Pyrrolidine-3-ones Pyrrolidine-2-ones Pyridines and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Vinylogous acids Thiadiazoles Pyrroles Cyclic ketones Lactams Sulfenyl compounds Azacyclic compounds Enols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - Imidazopyridine - Imidazo[1,2-a]pyridine - Phenoxy compound - Aryl thioether - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Alkylarylthioether - N-substituted imidazole - Aryl chloride - Aryl halide - Pyridine - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Thiadiazole - Imidazole - Heteroaromatic compound - Pyrrole - Azole - Vinylogous acid - Carboxamide group - Cyclic ketone - Ketone - Lactam - Azacycle - Carboxylic acid derivative - Enol - Ether - Sulfenyl compound - Thioether - Organohalogen compound - Organochloride - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - 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