Compound Identification
SMILES
CCOC1=CC=C(C=C1)N1CC(CC1=O)C1=NC2=CC=CC=C2N1CC(Br)=C
InChIKey
InChIKey=POAHPOZFYMDSPC-UHFFFAOYSA-N
Formula
C22H22BrN3O2
Mass
440.341
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
Benzimidazoles Phenoxy compounds Phenol ethers Alkyl aryl ethers Pyrrolidine-2-ones N-substituted imidazoles Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Lactams Vinyl bromides Azacyclic compounds Bromoalkenes Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrolidine - Benzimidazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - N-substituted imidazole - Benzenoid - Azole - Pyrrole - Imidazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Ether - Bromoalkene - Haloalkene - Vinyl halide - Vinyl bromide - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - 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