Compound Identification
SMILES
CC1=CC(=NO1)N1C(\C(=C(/O)C2=CC=C(F)C=C2)C(=O)C1=O)C1=CC(Br)=CC=C1
InChIKey
InChIKey=GYNDHPGPYNWCCD-HTXNQAPBSA-N
Formula
C21H14BrFN2O4
Mass
457.255
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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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
Bromobenzenes Fluorobenzenes Pyrrolidine-3-ones Pyrrolidine-2-ones Aryl bromides Aryl fluorides Imidolactams Vinylogous acids Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Isoxazoles Cyclic ketones Lactams Oxacyclic compounds Azacyclic compounds Enols Organopnictogen compounds Organofluorides Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Halobenzene - Fluorobenzene - Bromobenzene - Aryl fluoride - Aryl halide - Aryl bromide - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Benzenoid - Imidolactam - Monocyclic benzene moiety - Azole - Tertiary carboxylic acid amide - Pyrrole - Vinylogous acid - Isoxazole - Heteroaromatic compound - Cyclic ketone - Lactam - Carboxamide group - Ketone - Oxacycle - Azacycle - Carboxylic acid derivative - Enol - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - 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