Compound Identification
SMILES
Cl.CCN(CCCCC(O)=O)C1=C(CN(CC2=CC(=CC(=C2)C#N)C(F)(F)F)C2=CC(C)=NO2)C=C2CCCC2=C1
InChIKey
InChIKey=PGXRTOONPBFOQJ-UHFFFAOYSA-N
Formula
C30H34ClF3N4O3
Mass
591.07
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 Heteroaromatic compounds Isoxazoles Amino acids Oxacyclic compounds Azacyclic compounds Carboxylic acids Nitriles Monocarboxylic acids and derivatives Carbonyl compounds Alkyl fluorides Organofluorides Organic oxides Hydrocarbon derivatives Hydrochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - Indane - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Benzylamine - Benzonitrile - Heteroaromatic compound - Isoxazole - Azole - Tertiary amine - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Oxacycle - Azacycle - Carboxylic acid - Carbonitrile - Organoheterocyclic compound - Nitrile - Monocarboxylic acid or derivatives - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrochloride - 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