Compound Identification
SMILES
COC1=C(C)C(=O)C2=C([C@@H]3CN(C)[C@@H](CC(C)=O)[C@H](C2)N3C)C1=O
InChIKey
InChIKey=ZQEOAIHPGANTAN-IHRRRGAJSA-N
Formula
C18H24N2O4
Mass
332.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoquinolines and derivatives
- Subclass Isoquinoline quinones
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Class
Isoquinolines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
Isoquinoline quinones
Intermediate Tree Nodes
Not available
Direct Parent
Isoquinoline quinones
Alternative Parents
Isoquinolones and derivatives N-methylpiperazines Gamma-amino ketones Beta-amino ketones Vinylogous esters Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Isoquinoline quinone - Isoquinolone - N-methylpiperazine - N-alkylpiperazine - Beta-aminoketone - 1,4-diazinane - Gamma-aminoketone - Piperazine - Vinylogous ester - Tertiary aliphatic amine - Tertiary amine - Ketone - Azacycle - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoquinoline quinones. These are isoquinoline derivative with a structure containing a 5,8-dihydroisoquinoline-5,8-dione skeleton.
External Descriptors
Not available