Compound Identification
SMILES
NC1=CN=C(N=C1N[C@@H]1CCC(=O)C2=CC=CC=C12)N1C=NC2=C1C=C(F)C=C2
InChIKey
InChIKey=XLVHGYAMKCGMIW-MRXNPFEDSA-N
Formula
C21H17FN6O
Mass
388.406
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 Aryl alkyl ketones Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Aryl fluorides Heteroaromatic compounds Azacyclic compounds Primary amines Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tetralin - Benzimidazole - Aryl ketone - Aryl alkyl ketone - Aminopyrimidine - Aryl fluoride - Aryl halide - N-substituted imidazole - Pyrimidine - Imidolactam - Heteroaromatic compound - Azole - Imidazole - Ketone - Azacycle - Organoheterocyclic compound - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Primary amine - Organic nitrogen compound - Amine - 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