Compound Identification
SMILES
COC[C@@H](N=CN1CCC2=C(C=CC(OC)=C2)C1=O)C(C)(C)C
InChIKey
InChIKey=UJGPCGVZXRKWQI-MRXNPFEDSA-N
Formula
C18H26N2O3
Mass
318.417
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
Tetrahydroisoquinolines Anisoles Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Carboxylic acids and derivatives Carboximidamides Carboxamidines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - Tetrahydroisoquinoline - Anisole - Phenol ether - Alkyl aryl ether - Benzenoid - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic oxide - 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