Compound Identification
SMILES
CCC(=O)C1=C(O)C(C)=C(OCCCCOC2=CC=C(C=C2)C2=NNN=N2)C=C1
InChIKey
InChIKey=SEGANYYDWCNERD-UHFFFAOYSA-N
Formula
C21H24N4O4
Mass
396.447
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
Phenyltetrazoles and derivatives Phenylpropanes Aryl alkyl ketones Benzoyl derivatives Ortho cresols Phenol ethers Phenoxy compounds 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Toluenes Heteroaromatic compounds Vinylogous acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenyltetrazole - Phenylpropane - Phenoxy compound - Benzoyl - O-cresol - Phenol ether - Aryl alkyl ketone - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Toluene - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Vinylogous acid - Tetrazole - Ether - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - 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