Compound Identification
SMILES
CCO[C@H]1CN(C[C@H]1NC1=C(C)N=C(N(C)C1=O)C1=C(C=C(C=C1)N(C)C)C(F)(F)F)C(=O)OC
InChIKey
InChIKey=LCULZTXFZDRHTE-MSOLQXFVSA-N
Formula
C23H30F3N5O4
Mass
497.519
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Trifluoromethylbenzenes
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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
Pyrrolidine carboxylic acids Aniline and substituted anilines Dialkylarylamines Secondary alkylarylamines Pyrimidones Aminopyrimidines and derivatives Hydropyrimidines Methylcarbamates Heteroaromatic compounds Lactams Azacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aminopyrimidine - Pyrimidone - Secondary aliphatic/aromatic amine - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Methylcarbamate - Carbamic acid ester - Pyrrolidine - Lactam - Tertiary amine - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Secondary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Amine - Hydrocarbon derivative - Alkyl fluoride - Alkyl halide - 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