Compound Identification
SMILES
COC1=CC=CC(=C1)C(O)=C1C(N(C2=NC3=C(S2)C=C(Cl)C=C3)C(=O)C1=O)C1=CC(Br)=CC=C1
InChIKey
InChIKey=GQWSJJFAQSCPIT-UHFFFAOYSA-N
Formula
C25H16BrClN2O4S
Mass
555.83
Taxonomic Classification
Taxonomy Tree
-
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 Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Bromobenzenes Pyrrolidine-3-ones Pyrrolidine-2-ones Aryl bromides Aryl chlorides Pyrroles Tertiary carboxylic acid amides Thiazoles Heteroaromatic compounds Vinylogous acids Lactams Cyclic ketones Azacyclic compounds Enols Organonitrogen compounds Organic oxides Organobromides Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - 1,3-benzothiazole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Benzenoid - Vinylogous acid - Azole - Heteroaromatic compound - Pyrrole - Tertiary carboxylic acid amide - Thiazole - Carboxamide group - Ketone - Lactam - Cyclic ketone - Azacycle - Ether - Enol - Carboxylic acid derivative - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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