Compound Identification
SMILES
COC1=CC=CC=C1OC[C@@H](C)NC[C@@H](O)COC1=CNC(=O)C2=CC=CC=C12
InChIKey
InChIKey=BZAQSBHYQKDSGT-HZPDHXFCSA-N
Formula
C22H26N2O5
Mass
398.459
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoquinolines and derivatives
- Subclass Isoquinolones and derivatives
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Class
Isoquinolines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
Isoquinolones and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Isoquinolones and derivatives
Alternative Parents
Phenoxy compounds Methoxybenzenes Anisoles Pyridinones Alkyl aryl ethers Heteroaromatic compounds Secondary alcohols Lactams 1,2-aminoalcohols Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - Anisole - Phenol ether - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Pyridinone - Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Secondary alcohol - 1,2-aminoalcohol - Lactam - Azacycle - Secondary amine - Secondary aliphatic amine - Ether - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.
External Descriptors
Not available