Compound Identification
SMILES
CCOC(=O)CC(C)(C)C(=O)C1=C(C)C=C(C#CCNC2=CC=C(C=C2)C(N)=N)C(C)=C1
InChIKey
InChIKey=ABBDVUHEVVLTQV-UHFFFAOYSA-N
Formula
C26H31N3O3
Mass
433.552
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 Phenylpropanes Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives p-Xylenes Gamma-keto acids and derivatives Phenylalkylamines Fatty acid esters Secondary alkylarylamines Amino acids and derivatives Carboxylic acid esters Carboximidamides Monocarboxylic acids and derivatives Carboxamidines Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Phenylpropane - Benzoyl - Gamma-keto acid - Aryl alkyl ketone - Aniline or substituted anilines - Phenylalkylamine - Xylene - P-xylene - Secondary aliphatic/aromatic amine - Fatty acid ester - Benzenoid - Monocyclic benzene moiety - Keto acid - Fatty acyl - Amino acid or derivatives - Carboxylic acid ester - Carboximidamide - Secondary amine - Amidine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid amidine - Organic oxide - Amine - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen 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