Compound Identification
SMILES
CCCC1=C(OCC2=CN3C(=O)C(=CN=C3C=C2Cl)C#N)C=CC(C(C)=O)=C1O
InChIKey
InChIKey=MZYMKXRTDIMGQF-UHFFFAOYSA-N
Formula
C21H18ClN3O4
Mass
411.84
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
Pyridopyrimidines Phenylpropanes Acetophenones Phenoxy compounds Phenol ethers Aryl alkyl ketones Benzoyl derivatives Pyrimidones 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Pyridines and derivatives Aryl chlorides Vinylogous acids Heteroaromatic compounds Lactams Nitriles Azacyclic compounds Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Pyridopyrimidine - Acetophenone - Phenylpropane - Phenoxy compound - Phenol ether - Benzoyl - Aryl alkyl ketone - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Pyrimidone - Aryl chloride - Aryl halide - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Pyridine - Vinylogous acid - Heteroaromatic compound - Lactam - Nitrile - Carbonitrile - Ether - Organoheterocyclic compound - Azacycle - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organonitrogen compound - Aromatic heteropolycyclic 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