Compound Identification
SMILES
CCCCC1=CC2=CC(=O)C(C)(OC(=O)CC)C(OC(=O)C3CCCC3)=C2C=N1
InChIKey
InChIKey=SPHISGNOCUBVKK-UHFFFAOYSA-N
Formula
C23H29NO5
Mass
399.487
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoquinolines and derivatives
- Subclass Isoquinolones and derivatives
-
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
Alpha-acyloxy ketones Pyridines and derivatives Dicarboxylic acids and derivatives Heteroaromatic compounds Enol esters Cyclic ketones Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - Alpha-acyloxy ketone - Dicarboxylic acid or derivatives - Pyridine - Enol ester - Heteroaromatic compound - Carboxylic acid ester - Ketone - Cyclic ketone - Carboxylic acid derivative - Azacycle - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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