Compound Identification
SMILES
O=C(C1C(N(C2=NC=NN2)C(=O)C1=O)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=XLYOIASPDPNOQZ-UHFFFAOYSA-N
Formula
C19H14N4O3
Mass
346.346
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
Phenylpyrrolidines Aryl alkyl ketones Benzoyl derivatives Beta-diketones Pyrrolidine-3-ones Pyrrolidine-2-ones Triazoles Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Cyclic ketones Lactams Azacyclic compounds Organopnictogen compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - 2-phenylpyrrolidine - Benzoyl - Aryl alkyl ketone - 1,3-diketone - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - 1,3-dicarbonyl compound - Benzenoid - Azole - Pyrrole - Pyrrolidine - Heteroaromatic compound - Tertiary carboxylic acid amide - 1,2,4-triazole - Lactam - Carboxamide group - Cyclic ketone - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organopnictogen 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