Compound Identification
SMILES
CC(=O)C1=CC=C(NC(=O)C(=N\NC(N)=O)\C(CC(C)(C)C=O)C#N)C=C1
InChIKey
InChIKey=JXQAYEPFUXEYML-PXLXIMEGSA-N
Formula
C18H21N5O4
Mass
371.397
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 Acetophenones N-arylamides Benzoyl derivatives Aryl alkyl ketones Semicarbazones Fatty amides Secondary carboxylic acid amides Organic carbonic acids and derivatives Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Acetophenone - Anilide - Benzoyl - Aryl alkyl ketone - N-arylamide - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Semicarbazone - Semicarbazide - Carboxamide group - Carbonic acid derivative - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Carboxylic acid derivative - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Aldehyde - Organonitrogen compound - Aromatic homomonocyclic 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