Compound Identification
SMILES
OC(=C1[C@H](N(CCCN2C=CN=C2)C(=O)C1=O)C1=CC(F)=CC=C1)C1=CC=C(Br)C=C1
InChIKey
InChIKey=PXQVNRDATWVZPP-HXUWFJFHSA-N
Formula
C23H19BrFN3O3
Mass
484.325
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
Bromobenzenes Fluorobenzenes Pyrrolidine-3-ones Pyrrolidine-2-ones Aryl bromides Aryl fluorides N-substituted imidazoles N-alkylpyrrolidines Vinylogous acids Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Cyclic ketones Lactams Azacyclic compounds Enols Organic oxides Organobromides Organonitrogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Halobenzene - Fluorobenzene - Bromobenzene - N-substituted imidazole - Aryl bromide - Aryl fluoride - Aryl halide - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - N-alkylpyrrolidine - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Imidazole - Azole - Vinylogous acid - Pyrrole - Heteroaromatic compound - Lactam - Ketone - Carboxamide group - Cyclic ketone - Azacycle - Carboxylic acid derivative - Enol - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organobromide - Organohalogen 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