Compound Identification
SMILES
CC1=CN(C2CC(O)C(O2)C(=O)NC2=CC=C(C=C2)C(=O)CCl)C(=O)NC1=O
InChIKey
InChIKey=DPXKPKOKTUWXPA-UHFFFAOYSA-N
Formula
C18H18ClN3O6
Mass
407.81
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
Anilides Aryl alkyl ketones Benzoyl derivatives N-arylamides Pyrimidones Hydropyrimidines Oxolanes Vinylogous amides Heteroaromatic compounds Alpha-chloroketones Lactams Secondary alcohols Secondary carboxylic acid amides Ureas Oxacyclic compounds Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Anilide - Benzoyl - Aryl alkyl ketone - N-arylamide - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Pyrimidine - Benzenoid - Alpha-haloketone - Alpha-chloroketone - Heteroaromatic compound - Oxolane - Vinylogous amide - Carboxamide group - Lactam - Secondary alcohol - Secondary carboxylic acid amide - Urea - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl chloride - Hydrocarbon derivative - Alcohol - Organic oxide - Alkyl halide - Organic nitrogen compound - Aromatic heteromonocyclic 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