Compound Identification
SMILES
CCN1N=C(CC2=CC=C(C=C2)C(F)(F)F)C=C1C1CCN(C[C@H]2CC(CC(CC3CC3)C(O)=O)C[C@@H]2C2=CC(F)=CC=C2)CC1
InChIKey
InChIKey=KXQWZCJSCJKGLI-YOQRLLDRSA-N
Formula
C37H45F4N3O2
Mass
639.78
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
Carbocyclic fatty acids Aralkylamines Fluorobenzenes Piperidines Aryl fluorides Pyrazoles Heteroaromatic compounds Trialkylamines Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organofluorides Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Carbocyclic fatty acid - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Piperidine - Fatty acyl - Pyrazole - Heteroaromatic compound - Azole - Amino acid - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Organofluoride - Alkyl halide - Alkyl fluoride - Organonitrogen compound - Organooxygen compound - Amine - 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