Compound Identification
SMILES
COC(=O)C1=C(C)C(C([O-])=C2C(N(CC3=C[NH+]=CC=C3)C(=O)C2=O)C2=CC=C(Br)C=C2)=C(C)N1
InChIKey
InChIKey=LSUBWXLGGBJQSK-UHFFFAOYSA-N
Formula
C25H22BrN3O5
Mass
524.371
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass Phenylpyrrolidines
-
Class
Pyrrolidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
Pyrrole carboxylic acids and derivatives Bromobenzenes Aryl bromides N-alkylpyrrolidines Substituted pyrroles Pyrrolidine-3-ones Pyrrolidine-2-ones Pyridinium derivatives Vinylogous acids Tertiary carboxylic acid amides Heteroaromatic compounds Methyl esters Tertiary amines Amino acids and derivatives Lactams Cyclic ketones Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Pyrrole-2-carboxylic acid or derivatives - Halobenzene - Bromobenzene - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Substituted pyrrole - Aryl bromide - Monocyclic benzene moiety - Aryl halide - Benzenoid - Pyridine - Pyridinium - N-alkylpyrrolidine - Pyrrole - Tertiary carboxylic acid amide - Vinylogous acid - Methyl ester - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Ketone - Lactam - Cyclic ketone - Tertiary amine - Azacycle - Carboxylic acid derivative - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Organobromide - Organonitrogen compound - Organooxygen compound - Organic salt - Organic zwitterion - Organic oxide - Hydrocarbon derivative - 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