Compound Identification
SMILES
COC(=O)C1C(C2=CC=CC=C2OC)C(C#N)=C(NC1=O)SCC(=O)NC1=CC=CC(=C1)C(C)=O
InChIKey
InChIKey=KVLNOABDWDBENZ-UHFFFAOYSA-N
Formula
C25H23N3O6S
Mass
493.53
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
Acetophenones Anilides Phenoxy compounds N-arylamides Anisoles Methoxybenzenes Aryl alkyl ketones Benzoyl derivatives Tetrahydropyridines Alkyl aryl ethers 1,3-dicarbonyl compounds Methyl esters Secondary carboxylic acid amides Lactams Ketene acetals Sulfenyl compounds Monocarboxylic acids and derivatives Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Acetophenone - Anilide - Phenoxy compound - Phenol ether - Anisole - N-arylamide - Benzoyl - Methoxybenzene - Aryl alkyl ketone - Alkyl aryl ether - Tetrahydropyridine - 1,3-dicarbonyl compound - Monocyclic benzene moiety - Hydropyridine - Benzenoid - Methyl ester - Carboxylic acid ester - Ketene acetal or derivatives - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Sulfenyl compound - Ether - Nitrile - Monocarboxylic acid or derivatives - Carbonitrile - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Cyanide - Organic oxide - 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