Compound Identification
SMILES
COCCN1C(=O)C2=CC=CC=C2C(C(=O)NC2=NC(C)=C(C)S2)C11CCCC1
InChIKey
InChIKey=GEWIKFSEQFZMOP-UHFFFAOYSA-N
Formula
C22H27N3O3S
Mass
413.54
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 N-arylamides 2,4,5-trisubstituted thiazoles Benzenoids Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Secondary carboxylic acid amides Lactams Amino acids and derivatives Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - Tetrahydroisoquinoline - 2,4,5-trisubstituted 1,3-thiazole - N-arylamide - Benzenoid - Azole - Tertiary carboxylic acid amide - Heteroaromatic compound - Thiazole - Amino acid or derivatives - Carboxamide group - Lactam - Secondary carboxylic acid amide - Tertiary amine - Ether - Dialkyl ether - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Amine - Carbonyl group - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - 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