Compound Identification
SMILES
CC1=C(CCCNCCNS(=O)(=O)C2=CC(=CC3=C2C=CN=C3)C2=CC=CC=C2)C=CC(=C1)C#N
InChIKey
InChIKey=SHZXDJPTGVMZSK-UHFFFAOYSA-N
Formula
C28H28N4O2S
Mass
484.62
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isoquinolines and derivatives
Alternative Parents
Phenylpropylamines Benzonitriles Toluenes Aralkylamines Pyridines and derivatives Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Nitriles Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinoline - Phenylpropylamine - Benzonitrile - Aralkylamine - Toluene - Monocyclic benzene moiety - Pyridine - Benzenoid - Organosulfonic acid amide - Heteroaromatic compound - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Secondary aliphatic amine - Carbonitrile - Nitrile - Secondary amine - Azacycle - Organonitrogen compound - Organic nitrogen compound - Cyanide - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
External Descriptors
Not available