Compound Identification
SMILES
CC1=CC(C)=C(OC[C@H](O)C[NH+]2CC[NH+](CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)CC2)C=C1
InChIKey
InChIKey=JFQWGNWPSLXXRJ-HSZRJFAPSA-P
Formula
C29H35N3O4
Mass
489.615
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
Naphthalenes m-Xylenes Phenoxy compounds Phenol ethers Alkyl aryl ethers N-alkylpiperazines N-substituted carboxylic acid imides Quaternary ammonium salts Trialkylamines Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - Naphthalene - Phenoxy compound - M-xylene - Xylene - Phenol ether - Alkyl aryl ether - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Carboxylic acid imide, n-substituted - Piperazine - Benzenoid - Quaternary ammonium salt - Carboxylic acid imide - Secondary alcohol - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Azacycle - Carboxylic acid derivative - Ether - Amine - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic cation - 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