Compound Identification
SMILES
COC1=CC=CC=C1NC(=O)C1=C(C)NC(SCC(=O)C2=CC=C(C=C2)C2=CC=CC=C2)=C(C#N)C1C1=CC=CC=C1
InChIKey
InChIKey=KPJALCWUDYJWRD-UHFFFAOYSA-N
Formula
C35H29N3O3S
Mass
571.7
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
Biphenyls and derivatives Anilides Methoxyanilines Phenoxy compounds Anisoles N-arylamides Methoxybenzenes Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Dihydropyridines Vinylogous amides Secondary carboxylic acid amides Ketene acetals Sulfenyl compounds Nitriles Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Biphenyl - Methoxyaniline - Anilide - Anisole - Phenoxy compound - Benzoyl - Phenol ether - N-arylamide - Methoxybenzene - Aryl alkyl ketone - Alkyl aryl ether - Dihydropyridine - Benzenoid - Monocyclic benzene moiety - Hydropyridine - Vinylogous amide - Secondary carboxylic acid amide - Ketene acetal or derivatives - Carboxamide group - Azacycle - Sulfenyl compound - Organoheterocyclic compound - Nitrile - Carbonitrile - Ether - Carboxylic acid derivative - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Cyanide - Organonitrogen compound - Organosulfur 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