Compound Identification
SMILES
OCCNC1=C2C=CC=C3C(=O)N(C(=O)C(C=C1)=C23)C1=CC=CC=C1Br
InChIKey
InChIKey=UNQABHUNAYQXFC-UHFFFAOYSA-N
Formula
C20H15BrN2O3
Mass
411.255
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 Secondary alkylarylamines Bromobenzenes N-substituted carboxylic acid imides Aryl bromides Amino acids and derivatives 1,2-aminoalcohols Azacyclic compounds Primary alcohols Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - Naphthalene - Bromobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - Amino acid or derivatives - 1,2-aminoalcohol - Secondary amine - Azacycle - Alkanolamine - Carboxylic acid derivative - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Amine - Alcohol - Hydrocarbon derivative - Organooxygen compound - Primary alcohol - Organohalogen compound - Organobromide - 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