Compound Identification
SMILES
OCCN1CCN(CC1)C(=O)CSC1=NN=C(CCCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)N1C1=CC=CC=C1
InChIKey
InChIKey=CTIZCHYSTCRTLX-UHFFFAOYSA-N
Formula
C33H36N6O4S
Mass
612.75
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
Phenyl-1,2,4-triazoles Naphthalenes Alkylarylthioethers N-alkylpiperazines N-substituted carboxylic acid imides Benzene and substituted derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines 1,2-aminoalcohols Amino acids and derivatives Azacyclic compounds Sulfenyl compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - Phenyl-1,2,4-triazole - Phenyltriazole - Naphthalene - Aryl thioether - Alkylarylthioether - N-alkylpiperazine - Carboxylic acid imide, n-substituted - Piperazine - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Triazole - 1,2,4-triazole - Carboxylic acid imide - Carboxamide group - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - 1,2-aminoalcohol - Alkanolamine - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Thioether - Amine - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen 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