Compound Identification
SMILES
CCC1=NC2=C(N=C(C)C=C2C)N1CC1=CC(C(C)=O)=C(OC(C(O)=O)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=NRSPDTUSPMLTLZ-UHFFFAOYSA-N
Formula
C27H27N3O4
Mass
457.53
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
Phenoxyacetic acid derivatives Acetophenones Imidazopyridines Phenoxy compounds Aryl alkyl ketones Benzoyl derivatives Phenol ethers Methylpyridines Alkyl aryl ethers N-substituted imidazoles Heteroaromatic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Phenoxyacetate - Acetophenone - Imidazopyridine - Phenoxy compound - Benzoyl - Aryl alkyl ketone - Phenol ether - Alkyl aryl ether - Methylpyridine - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Pyridine - Azole - Heteroaromatic compound - Imidazole - Azacycle - Ether - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - 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