Compound Identification
SMILES
COC(=O)C1C2N(N=CN2C2=CC=CC=C2)C(C1C(=O)OC)C(=O)C1=CC=CC=C1
InChIKey
InChIKey=WRRRTBSXXUKVRO-UHFFFAOYSA-N
Formula
C22H21N3O5
Mass
407.426
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
Pyrrolidine carboxylic acids Gamma-keto acids and derivatives Benzoyl derivatives Aryl alkyl ketones Aniline and substituted anilines Dicarboxylic acids and derivatives Triazolines Methyl esters Amidrazones Hydrazones Formamidines Azacyclic compounds Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Benzoyl - Gamma-keto acid - Aniline or substituted anilines - Pyrrolidine carboxylic acid - Aryl alkyl ketone - Pyrrolidine carboxylic acid or derivatives - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Keto acid - Benzenoid - Triazoline - Methyl ester - Pyrrolidine - Carboxylic acid amidrazone - Carboxylic acid ester - Azacycle - Hydrazone - Amidine - Carboxylic acid derivative - Formamidine - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Amine - 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