Compound Identification
SMILES
CCN(CC1CCCC1)C1=C(CN(CC2=CC(=CC(=C2)C#N)C(F)(F)F)C(=O)OC)C2=C(CCCC2)C=C1
InChIKey
InChIKey=DNTIUGBWRVNPIH-UHFFFAOYSA-N
Formula
C30H36F3N3O2
Mass
527.632
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
Trifluoromethylbenzenes Dialkylarylamines Benzonitriles Methylcarbamates Nitriles Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Trifluoromethylbenzene - Tetralin - Benzonitrile - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Monocyclic benzene moiety - Methylcarbamate - Carbamic acid ester - Tertiary amine - Carbonitrile - Nitrile - Alkyl fluoride - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Cyanide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic homopolycyclic 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