Compound Identification
SMILES
Cl.CN1C=C(CN2CCN([C@H](CC3=CC(C)=C(C)C=C3)C2)C(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C=N1
InChIKey
InChIKey=NUCQNWDHXRJJKW-GJFSDDNBSA-N
Formula
C27H29ClF6N4O
Mass
575.0
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
Benzamides o-Xylenes Benzoyl derivatives Aralkylamines N-alkylpiperazines Tertiary carboxylic acid amides Pyrazoles Heteroaromatic compounds Trialkylamines Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organofluorides Organooxygen compounds Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Benzamide - Benzoic acid or derivatives - Benzoyl - O-xylene - Xylene - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Piperazine - Azole - Heteroaromatic compound - Pyrazole - Tertiary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Hydrochloride - Organohalogen compound - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl fluoride - Organooxygen compound - Alkyl halide - 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