Compound Identification
SMILES
CC1=CC2=C(C=C1)N=C(S2)N1C(C(=C(O)C2=C(C)C=CC(C)=C2)C(=O)C1=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=WDZRJLASKRRQIB-UHFFFAOYSA-N
Formula
C27H21BrN2O3S
Mass
533.44
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
Benzothiazoles p-Xylenes Bromobenzenes Pyrrolidine-3-ones Pyrrolidine-2-ones Aryl bromides Vinylogous acids Thiazoles Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Cyclic ketones Lactams Enols Azacyclic compounds Organonitrogen compounds Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - 1,3-benzothiazole - P-xylene - Xylene - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Azole - Heteroaromatic compound - Vinylogous acid - Pyrrole - Thiazole - Tertiary carboxylic acid amide - Cyclic ketone - Carboxamide group - Ketone - Lactam - Azacycle - Enol - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen 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