Compound Identification
SMILES
CCOC(=O)C1=C(C)N=C(S1)N1C(C(=C(O)C2=CC(F)=C(C)C=C2)C(=O)C1=O)C1=CC(Br)=CC=C1
InChIKey
InChIKey=RRNCVLBHRSUOAW-UHFFFAOYSA-N
Formula
C25H20BrFN2O5S
Mass
559.41
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
Thiazolecarboxylic acids and derivatives 2,4,5-trisubstituted thiazoles Toluenes Bromobenzenes Fluorobenzenes Pyrrolidine-3-ones Pyrrolidine-2-ones Aryl bromides Aryl fluorides Vinylogous acids Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Carboxylic acid esters Cyclic ketones Lactams Azacyclic compounds Enols Organofluorides Organonitrogen compounds Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - 2,4,5-trisubstituted 1,3-thiazole - Thiazolecarboxylic acid or derivatives - Halobenzene - Fluorobenzene - Bromobenzene - Toluene - Aryl bromide - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Pyrrolidone - 3-pyrrolidone - 2-pyrrolidone - Heteroaromatic compound - Azole - Vinylogous acid - Thiazole - Pyrrole - Tertiary carboxylic acid amide - Lactam - Cyclic ketone - Ketone - Carboxylic acid ester - Carboxamide group - Azacycle - Carboxylic acid derivative - Enol - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organic oxygen compound - Organohalogen 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