Compound Identification
SMILES
OC(=O)C(F)(F)F.CC1=C2CN[C@H]3[C@@H](CCC4=CC=CC=C34)N2N=N1
InChIKey
InChIKey=AELFIHLEPBQEMC-QMDUSEKHSA-N
Formula
C16H17F3N4O2
Mass
354.333
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Tetralins
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Tetralins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Tetralins
Alternative Parents
Aralkylamines Triazoles Heteroaromatic compounds Alpha-halocarboxylic acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Not available
Substituents
Tetralin - Aralkylamine - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Azole - Heteroaromatic compound - 1,2,3-triazole - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
External Descriptors
Not available