Compound Identification
SMILES
COC1=CC(N2C(=O)CC(NNC(=O)C3=CC=CC=C3Br)C2=O)=C(OC)C=C1
InChIKey
InChIKey=FPQCHIYEMMUQLO-UHFFFAOYSA-N
Formula
C19H18BrN3O5
Mass
448.273
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
Dimethoxybenzenes Alpha amino acids and derivatives 2-halobenzoic acids and derivatives Methoxyanilines Benzoyl derivatives Anisoles Phenoxy compounds Alkyl aryl ethers Bromobenzenes Pyrrolidine-2-ones N-substituted carboxylic acid imides Aryl bromides Pyrroles Vinylogous halides Dicarboximides Lactams Carboxylic acid hydrazides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrolidine - Alpha-amino acid or derivatives - P-dimethoxybenzene - Dimethoxybenzene - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Methoxyaniline - Benzoic acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Carboxylic acid imide, n-substituted - Benzenoid - Monocyclic benzene moiety - Aryl halide - 2-pyrrolidone - Pyrrolidone - Vinylogous halide - Carboxylic acid imide - Dicarboximide - Pyrrole - Lactam - Carboxylic acid hydrazide - Carboxylic acid derivative - Ether - Azacycle - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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