Compound Identification
SMILES
CC1=CC(C(O)=C2C(N(C(=O)C2=O)C2=NN=C(SCC3=CC=C(Cl)C=C3)S2)C2=CC(Br)=CC=C2)=C(C)C=C1
InChIKey
InChIKey=ZBBKPYSSVZOQEZ-UHFFFAOYSA-N
Formula
C28H21BrClN3O3S2
Mass
626.97
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
p-Xylenes Alkylarylthioethers Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Pyrrolidine-2-ones Pyrrolidine-3-ones Heteroaromatic compounds Tertiary carboxylic acid amides Thiadiazoles Pyrroles Vinylogous acids Lactams Cyclic ketones Enols Azacyclic compounds Sulfenyl compounds Organonitrogen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Aryl thioether - Xylene - P-xylene - Bromobenzene - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl bromide - 3-pyrrolidone - 2-pyrrolidone - Pyrrolidone - Aryl chloride - Heteroaromatic compound - Vinylogous acid - Azole - Thiadiazole - Tertiary carboxylic acid amide - Pyrrole - Cyclic ketone - Carboxamide group - Ketone - Lactam - Sulfenyl compound - Carboxylic acid derivative - Azacycle - Thioether - Enol - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organic oxygen compound - Carbonyl group - Organobromide - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic 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