Compound Identification
SMILES
OC(=O)C(=O)CC(=O)C1=CC(CN2C=NC3=CC=CC=C23)=CC=C1
InChIKey
InChIKey=JSBNUVBPDGFMGI-UHFFFAOYSA-N
Formula
C18H14N2O4
Mass
322.32
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
Butyrophenones Benzimidazoles Aryl alkyl ketones Gamma-keto acids and derivatives Benzoyl derivatives Beta-diketones Alpha-keto acids and derivatives N-substituted imidazoles Alpha-hydroxy ketones Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Benzimidazole - Gamma-keto acid - Benzoyl - Aryl alkyl ketone - 1,3-diketone - Alpha-keto acid - Keto acid - N-substituted imidazole - 1,3-dicarbonyl compound - Monocyclic benzene moiety - Benzenoid - Alpha-hydroxy ketone - Imidazole - Heteroaromatic compound - Azole - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen 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