Compound Identification
SMILES
CCC1CC1C(=O)O[C@@]1(CCNCCCC2=NC3=CC=CC=C3N2)CCC2=C(C=CC(F)=C2)[C@@H]1C(C)C
InChIKey
InChIKey=IXSTVQASJIZKQJ-YQSXFJEUSA-N
Formula
C31H40FN3O2
Mass
505.678
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
Benzimidazoles Aralkylamines Cyclopropanecarboxylic acids and derivatives Aryl fluorides Imidazoles Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tetralin - Benzimidazole - Aralkylamine - Cyclopropanecarboxylic acid or derivatives - Aryl fluoride - Aryl halide - Imidazole - Azole - Heteroaromatic compound - Carboxylic acid ester - Amino acid or derivatives - Secondary amine - Secondary aliphatic amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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