Compound Identification
SMILES
NCC1CCC(CNC2=NC(N[C@@H]3CCCC4=CC=CC=C34)=NC=C2[N+]([O-])=O)CC1
InChIKey
InChIKey=VLCPAPGAMOSZMA-LADRWXRNSA-N
Formula
C22H30N6O2
Mass
410.522
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
Nitroaromatic compounds Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic zwitterions Organic salts Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tetralin - Nitroaromatic compound - Aminopyrimidine - Pyrimidine - Imidolactam - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organoheterocyclic compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Primary amine - Organonitrogen compound - Organic nitrogen compound - Primary aliphatic amine - Organic salt - Organic oxygen 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