Compound Identification
SMILES
CC1=CC=C(C=C1)N1C[C@@H](CC1=O)C1=NC(=NO1)C1=CC=C(Br)C=C1
InChIKey
InChIKey=ZFGHMNPKHVXRBD-CQSZACIVSA-N
Formula
C19H16BrN3O2
Mass
398.26
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
Phenyloxadiazoles Toluenes Bromobenzenes Pyrrolidine-2-ones Aryl bromides Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Tertiary amines Amino acids and derivatives Lactams Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrolidine - Phenyl-1,2,4-oxadiazole - Bromobenzene - Halobenzene - Toluene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Azole - 1,2,4-oxadiazole - Oxadiazole - Pyrrole - Tertiary amine - Amino acid or derivatives - Lactam - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Organooxygen compound - Amine - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organic nitrogen compound - Organonitrogen compound - 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