Compound Identification
SMILES
CC1=CC(C[C@H]2CNC[C@@H]2NCCNCC2=CC=C(C=C2)C(F)(F)F)=NC(N)=C1
InChIKey
InChIKey=VNRFDXWZGVRTLB-LPHOPBHVSA-N
Formula
C21H28F3N5
Mass
407.485
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
Phenylmethylamines Benzylamines Methylpyridines Aralkylamines Aminopyridines and derivatives Imidolactams Pyrrolidines Heteroaromatic compounds Dialkylamines Azacyclic compounds Primary amines Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Benzylamine - Phenylmethylamine - Aminopyridine - Methylpyridine - Aralkylamine - Pyridine - Imidolactam - Heteroaromatic compound - Pyrrolidine - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Alkyl halide - Primary amine - Amine - Organic nitrogen 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