Compound Identification
SMILES
CN1C(=O)CC(C)(N=C1N)C1=CC(CC(=O)C2=CN=C(OCCF)C=N2)=CC=C1
InChIKey
InChIKey=ZFDLPRKBSFQXBX-UHFFFAOYSA-N
Formula
C20H22FN5O3
Mass
399.426
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 Aryl alkyl ketones
-
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
Direct Parent
Aryl alkyl ketones
Alternative Parents
Alkyl aryl ethers Pyrazines Hydropyrimidines Benzene and substituted derivatives Heteroaromatic compounds Tertiary amines Guanidines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl alkyl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Pyrazine - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Guanidine - Tertiary amine - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Amine - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.
External Descriptors
Not available