Compound Identification
SMILES
[Cl-].C1[C@@H]2C3=CC=CC=C3[C@@H](C3=CC=CC=[N+]23)C1(C1=NC=CN1)C1=NC=CN1
InChIKey
InChIKey=KJTDCXNUEHNCHI-URBRKQAFSA-M
Formula
C21H18ClN5
Mass
375.86
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
Pyridinium derivatives Imidazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic zwitterions Organic chloride salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tetralin - Pyridinium - Pyridine - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organic zwitterion - Organonitrogen 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