Compound Identification
SMILES
COC1=CN=CC(NC2=NC=C(C(NC3=CC=CC(=C3)C(=O)C=C(C)C)=N2)C(F)(F)F)=C1
InChIKey
InChIKey=GEPGHAZMXYJKHY-UHFFFAOYSA-N
Formula
C22H20F3N5O2
Mass
443.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoyl derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoyl derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoyl derivatives
Alternative Parents
Aryl ketones Aniline and substituted anilines Aminopyrimidines and derivatives Aminopyridines and derivatives Alkyl aryl ethers Imidolactams Heteroaromatic compounds Enones Acryloyl compounds Secondary amines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoyl - Aryl ketone - Aniline or substituted anilines - Alkyl aryl ether - Aminopyridine - Aminopyrimidine - Pyridine - Pyrimidine - Imidolactam - Alpha,beta-unsaturated ketone - Heteroaromatic compound - Acryloyl-group - Enone - Ketone - Secondary amine - Ether - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
External Descriptors
Not available