Compound Identification
SMILES
NC1=CC=C(C=C1)C(=O)CC1(O)C(=O)N(CC2=CC=CC=C2Cl)C2=C1C=C(Br)C=C2
InChIKey
InChIKey=FIIXFKMBBUSGEY-UHFFFAOYSA-N
Formula
C23H18BrClN2O3
Mass
485.76
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
Indoles and derivatives Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Chlorobenzenes Aryl bromides Aryl chlorides Beta-hydroxy ketones Tertiary carboxylic acid amides Tertiary alcohols Amino acids and derivatives Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Indole or derivatives - Benzoyl - Aryl alkyl ketone - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Beta-hydroxy ketone - Benzenoid - Tertiary carboxylic acid amide - Tertiary alcohol - Lactam - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Amine - Organic nitrogen compound - Organic oxide - Alcohol - Organohalogen compound - Organonitrogen compound - Primary amine - Organobromide - Organochloride - Hydrocarbon derivative - 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