Compound Identification
SMILES
OC(=O)CCC(=O)N(CCCN1CC2=C(C(NC(=O)N2C2=CC=CC(=C2)C(F)(F)F)C2=CC=C(C=C2)C#N)C1=O)CCCN1CC2=C(C(NC(=O)N2C2=CC=CC(=C2)C(F)(F)F)C2=CC=C(C=C2)C#N)C1=O
InChIKey
InChIKey=AJQFXHWTZBPNLS-UHFFFAOYSA-N
Formula
C50H41F6N9O7
Mass
993.924
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
Benzonitriles Pyrimidones Hydropyrimidines N-acyl amines Vinylogous amides Tertiary carboxylic acid amides Pyrrolines Amino acids Lactams Ureas Tertiary amines Nitriles Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - Benzonitrile - Pyrimidone - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - N-acyl-amine - Pyrimidine - Vinylogous amide - Tertiary carboxylic acid amide - Pyrroline - Amino acid or derivatives - Carboxamide group - Amino acid - Lactam - Urea - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl fluoride - Cyanide - Organic oxygen compound - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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