Compound Identification
SMILES
OC(=O)CCC1=NN2C(=NC1=O)N(CC(=O)C1=CC=C(Cl)C=C1)C1=CC=CC=C21
InChIKey
InChIKey=ZQNZBSUIJIAUMN-UHFFFAOYSA-N
Formula
C20H15ClN4O4
Mass
410.81
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
Benzimidazoles Imidazo[1,2-a][1,2,4]triazines Aryl alkyl ketones Benzoyl derivatives Chlorobenzenes 1,2,4-triazines Aryl chlorides N-substituted imidazoles Heteroaromatic compounds Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Benzimidazole - Imidazo[1,2-a][1,2,4]triazine - Benzoyl - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Monocyclic benzene moiety - 1,2,4-triazine - Aryl chloride - N-substituted imidazole - Benzenoid - Triazine - Aryl halide - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen compound - 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