Compound Identification
SMILES
COC(=O)C1=C(C)N=C(S1)N1C(C(=C(O)C2=C(C)C=CC(C)=C2)C(=O)C1=O)C1=CC(Br)=CC=C1
InChIKey
InChIKey=RYTRJLKNHCYVRR-UHFFFAOYSA-N
Formula
C25H21BrN2O5S
Mass
541.42
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 Thiazolecarboxylic acids and derivatives 2,4,5-trisubstituted thiazoles Bromobenzenes Pyrrolidine-3-ones Pyrrolidine-2-ones Aryl bromides Vinylogous acids Tertiary carboxylic acid amides Pyrroles Methyl esters Heteroaromatic compounds Lactams Cyclic ketones Azacyclic compounds Enols Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - 2,4,5-trisubstituted 1,3-thiazole - P-xylene - Xylene - Thiazolecarboxylic acid or derivatives - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Benzenoid - Monocyclic benzene moiety - Azole - Thiazole - Methyl ester - Heteroaromatic compound - Pyrrole - Vinylogous acid - Tertiary carboxylic acid amide - Cyclic ketone - Carboxamide group - Carboxylic acid ester - Ketone - Lactam - Enol - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen 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