Compound Identification
SMILES
Cl.OCCN1CCC(CC1)OC1=CC=CC2=C1C(=CN=C2)C#N
InChIKey
InChIKey=ABETYHZVXHREKN-UHFFFAOYSA-N
Formula
C17H20ClN3O2
Mass
333.82
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
Phenol ethers Alkyl aryl ethers Pyridines and derivatives Piperidines Heteroaromatic compounds Trialkylamines 1,2-aminoalcohols Nitriles Azacyclic compounds Primary alcohols Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinoline - Phenol ether - Alkyl aryl ether - Piperidine - Pyridine - Benzenoid - Heteroaromatic compound - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Alkanolamine - Ether - Carbonitrile - Nitrile - Azacycle - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Cyanide - Alcohol - Organooxygen compound - Hydrocarbon derivative - Amine - Primary alcohol - Hydrochloride - 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