Compound Identification
SMILES
CCN(CC1CCC(CC1)C(O)=O)C1=C(CN(CC2=CC(=CC(=C2)C#N)C(F)(F)F)C2=NN(C)C=C2)C=C2CCCC2=C1
InChIKey
InChIKey=XEHOCMGHBJEZFS-UHFFFAOYSA-N
Formula
C33H38F3N5O2
Mass
593.695
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
Indanes Benzonitriles Benzylamines Dialkylarylamines Imidolactams Pyrazoles Heteroaromatic compounds Amino acids Carboxylic acids Azacyclic compounds Nitriles Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organofluorides Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - Indane - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Benzylamine - Benzonitrile - Imidolactam - Heteroaromatic compound - Pyrazole - Azole - Tertiary amine - Amino acid - Amino acid or derivatives - Carboxylic acid derivative - Azacycle - Carbonitrile - Organoheterocyclic compound - Nitrile - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Amine - 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