Compound Identification
SMILES
CCCN1C(C(C(=O)OCC)C2=CC=CC=C2C1=O)C1=NC2=C(C=CC=C2Br)N1C
InChIKey
InChIKey=JOLZPXCEMZBVFR-UHFFFAOYSA-N
Formula
C23H24BrN3O3
Mass
470.367
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 Benzimidazoles Aryl bromides N-substituted imidazoles Benzenoids Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Amino acids and derivatives Lactams Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - Tetrahydroisoquinoline - Benzimidazole - Aryl bromide - Aryl halide - N-substituted imidazole - Benzenoid - Heteroaromatic compound - Azole - Imidazole - Tertiary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Lactam - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Amine - Organic oxygen compound - Organooxygen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - 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