Compound Identification
SMILES
COC1=CC=CC=C1NC(=O)C1=C(C)NC(SCC(=O)C2=CC=C(Cl)C=C2)=C(C#N)C1C1=CC=CO1
InChIKey
InChIKey=XQBGIRHHHCSWLE-UHFFFAOYSA-N
Formula
C27H22ClN3O4S
Mass
520.0
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
Methoxyanilines Anilides Methoxybenzenes N-arylamides Benzoyl derivatives Aryl alkyl ketones Anisoles Phenoxy compounds Dihydropyridines Chlorobenzenes Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Furans Vinylogous amides Ketene acetals Secondary carboxylic acid amides Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Nitriles Organochlorides Organic oxides Aldehydes Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Anilide - Methoxyaniline - Anisole - Phenoxy compound - Benzoyl - Phenol ether - N-arylamide - Aryl alkyl ketone - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Dihydropyridine - Halobenzene - Hydropyridine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Benzenoid - Heteroaromatic compound - Furan - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Ketene acetal or derivatives - Organoheterocyclic compound - Ether - Nitrile - Carbonitrile - Sulfenyl compound - Oxacycle - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Aldehyde - Organic nitrogen compound - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organosulfur 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