Compound Identification
SMILES
CC1=CC(NC(=O)[C@@H]2CN(C(=O)C2)C2=CC(C)=C(Br)C=C2)=NO1
InChIKey
InChIKey=QNYLCXBXHHIXGI-NSHDSACASA-N
Formula
C16H16BrN3O3
Mass
378.226
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
Pyrrolidinecarboxamides N-arylamides Toluenes Bromobenzenes Aryl bromides Pyrrolidine-2-ones Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Pyrroles Isoxazoles Secondary carboxylic acid amides Lactams Azacyclic compounds Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - N-arylamide - Pyrrolidine-3-carboxamide - Bromobenzene - Halobenzene - Toluene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrrolidone - 2-pyrrolidone - Azole - Heteroaromatic compound - Isoxazole - Pyrrole - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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