Compound Identification
SMILES
CC1=C(C#N)C2=NC3=CC=CC=C3N2C(=O)\C1=C\NNC1=CC=CC(=C1)C(F)(F)F
InChIKey
InChIKey=PQZYZZFAKNYFSM-LFIBNONCSA-N
Formula
C21H14F3N5O
Mass
409.372
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
Benzimidazoles Imidazo[1,2-a]pyridines Phenylhydrazines Pyridinones Methylpyridines N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Lactams Azacyclic compounds Nitriles Hydrocarbon derivatives Hydrazines and derivatives Organic oxides Organofluorides Organooxygen compounds Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - Benzimidazole - Imidazo[1,2-a]pyridine - Phenylhydrazine - Methylpyridine - Pyridinone - N-substituted imidazole - Pyridine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Lactam - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Alkyl fluoride - Cyanide - Hydrazine derivative - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - 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