Compound Identification
SMILES
CC(C)(C)OC(=O)C1=CC=C(CN2C=C3C=C(C=CC3=CC2=O)C#CCN2C=CN=C2)C=C1
InChIKey
InChIKey=RGHNCPUWXGXBST-UHFFFAOYSA-N
Formula
C27H25N3O3
Mass
439.515
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
Benzoic acid esters Imidazolyl carboxylic acids and derivatives Benzoyl derivatives Pyridinones N-substituted imidazoles Heteroaromatic compounds Lactams Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Imidazolyl carboxylic acid derivative - Pyridinone - Monocyclic benzene moiety - Benzenoid - Pyridine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Carboxylic acid ester - Lactam - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen 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