Compound Identification
SMILES
COC1=CC=C(C=C1)C(O)=C1C(N(C2=NN=C(C)S2)C(=O)C1=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=JVWHEZLSCZJHIO-UHFFFAOYSA-N
Formula
C21H16BrN3O4S
Mass
486.34
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
Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Bromobenzenes Aryl bromides Pyrrolidine-3-ones Pyrrolidine-2-ones Vinylogous acids Thiadiazoles Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Cyclic ketones Lactams Azacyclic compounds Enols Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Monocyclic benzene moiety - Benzenoid - Pyrrole - Tertiary carboxylic acid amide - Thiadiazole - Heteroaromatic compound - Azole - Vinylogous acid - Cyclic ketone - Carboxamide group - Ketone - Lactam - Ether - Enol - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - 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