Compound Identification
SMILES
CC1=C(Cl)C=C(C=C1)N1C(=O)C2C(NC(C2C1=O)(C(O)=O)C1=CC=CC=C1)C1=C(O)C=CC(Br)=C1
InChIKey
InChIKey=IQOAFWJKFYBLNR-UHFFFAOYSA-N
Formula
C26H20BrClN2O5
Mass
555.81
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
Alpha amino acids Pyrrolidine carboxylic acids P-bromophenols Toluenes 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Chlorobenzenes Bromobenzenes Pyrrolidine-2-ones N-substituted carboxylic acid imides Aryl bromides Aryl chlorides Pyrroles Dicarboximides Amino acids Lactams Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organobromides Organic oxides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrolidine - 2-phenylpyrrolidine - Alpha-amino acid - Alpha-amino acid or derivatives - 4-halophenol - 4-bromophenol - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Chlorobenzene - Bromobenzene - Phenol - Aralkylamine - Toluene - Aryl bromide - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Aryl chloride - Pyrrolidone - 2-pyrrolidone - Aryl halide - Benzenoid - Pyrrole - Dicarboximide - Carboxylic acid imide - Amino acid - Amino acid or derivatives - Lactam - Azacycle - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organic oxide - Organobromide - Organohalogen compound - Hydrocarbon derivative - 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