Compound Identification
SMILES
COCC[C@@H]1CCCN1CCOC1=CC2=C(C=CN(C2=O)C2=C(C)C=CC(=C2)C(=O)NC2CC2)C=C1
InChIKey
InChIKey=UTCXCIXIOLJJRO-DEOSSOPVSA-N
Formula
C29H35N3O4
Mass
489.616
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
p-Toluamides Benzamides Benzoyl derivatives Phenol ethers Alkyl aryl ethers Pyridinones N-alkylpyrrolidines Heteroaromatic compounds Lactams Secondary carboxylic acid amides Trialkylamines Amino acids and derivatives Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - Benzamide - Benzoic acid or derivatives - P-toluamide - Toluamide - Benzoyl - Phenol ether - Alkyl aryl ether - Pyridinone - Toluene - Monocyclic benzene moiety - Pyridine - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Heteroaromatic compound - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen 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