Compound Identification
SMILES
COC(=O)C1=C(N=C(C)N=C1C(C)C)C(=O)N1CCN(C(C)C1)C(=O)C1=CC=C(C=C1)C(F)(F)F
InChIKey
InChIKey=PPDKXPAUHDBUTB-UHFFFAOYSA-N
Formula
C24H27F3N4O4
Mass
492.499
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Trifluoromethylbenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Trifluoromethylbenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Trifluoromethylbenzenes
Alternative Parents
Pyrimidinecarboxylic acids Benzamides Benzoyl derivatives 2-heteroaryl carboxamides Piperazines Tertiary carboxylic acid amides Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Benzamide - Benzoic acid or derivatives - Pyrimidine-6-carboxylic acid or derivatives - Pyrimidine-5-carboxylic acid or derivatives - Pyrimidine-5-carboxylic acid - 2-heteroaryl carboxamide - Benzoyl - 1,4-diazinane - Pyrimidine - Piperazine - Heteroaromatic compound - Methyl ester - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organohalogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
External Descriptors
Not available