Compound Identification
SMILES
ClC1=CC=C(C=C1)N1C(=O)[C@@H]2[C@@H]3CCC[NH+]3[C@@H]([C@@H]2C1=O)C(=O)C1=CC=CC=C1
InChIKey
InChIKey=LNFNIZFZHGGWDR-MANSERQUSA-O
Formula
C22H20ClN2O3
Mass
395.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Beta amino acids and derivatives Phenylpyrrolidines Pyrrolizidines Aryl alkyl ketones Benzoyl derivatives Chlorobenzenes Pyrrolidine-2-ones Aryl chlorides N-substituted carboxylic acid imides N-alkylpyrrolidines Pyrroles Quaternary ammonium salts Alpha-amino ketones Dicarboximides Trialkylamines Lactams Azacyclic compounds Organic oxides Organochlorides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Beta amino acid or derivatives - 1-phenylpyrrolidine - Benzoyl - Aryl alkyl ketone - Pyrrolizidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Pyrrole - Quaternary ammonium salt - Dicarboximide - Alpha-aminoketone - Carboxylic acid imide - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Lactam - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Amine - Organohalogen compound - Organochloride - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available