Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C1C(C(=O)NCCN(C)C)C2=CC=CC=C2C(=O)N1C
InChIKey
InChIKey=NYHXRKIRWTWIRQ-UHFFFAOYSA-N
Formula
C23H29N3O4
Mass
411.502
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 Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers Tertiary carboxylic acid amides Trialkylamines Secondary carboxylic acid amides Lactams Amino acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - O-dimethoxybenzene - Dimethoxybenzene - Tetrahydroisoquinoline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Ether - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen 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