Compound Identification
SMILES
O[C@H](COC1=CC=CC2=C1C=CN2)CN1CCC(O)(CC1)C1=CN=CC2=CC=CC=C12
InChIKey
InChIKey=LDPODJUKOXOLAL-IBGZPJMESA-N
Formula
C25H27N3O3
Mass
417.509
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
Indoles Phenol ethers Aralkylamines Alkyl aryl ethers Pyridines and derivatives Piperidines Tertiary alcohols Pyrroles Heteroaromatic compounds Trialkylamines Secondary alcohols 1,2-aminoalcohols Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinoline - Indole - Indole or derivatives - Phenol ether - Alkyl aryl ether - Aralkylamine - Piperidine - Pyridine - Benzenoid - Tertiary alcohol - Heteroaromatic compound - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - 1,2-aminoalcohol - Ether - Azacycle - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Amine - Alcohol - 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