Compound Identification
SMILES
COC1=C(Cl)C=C(C=C1)C(=O)CN1C(=O)N2CCCC2=C(C#N)C1=O
InChIKey
InChIKey=JDCZJWUPQRUIQH-UHFFFAOYSA-N
Formula
C17H14ClN3O4
Mass
359.77
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
-
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
Pyrrolopyrimidines Phenoxy compounds Anisoles Aryl alkyl ketones Methoxybenzenes Benzoyl derivatives Pyrimidones Alkyl aryl ethers Chlorobenzenes Aryl chlorides Vinylogous amides Heteroaromatic compounds Ureas Lactams Nitriles Azacyclic compounds Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Pyrrolopyrimidine - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Aryl alkyl ketone - Alkyl aryl ether - Chlorobenzene - Halobenzene - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Urea - Lactam - Azacycle - Organoheterocyclic compound - Ether - Carbonitrile - Nitrile - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Cyanide - Organic nitrogen 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