Compound Identification
SMILES
COC1=CC(Br)=C2CC3C4=C(CC[N+]3=CC2=C1O)CC(=O)CC4
InChIKey
InChIKey=URDAFXUPXWDYOP-UHFFFAOYSA-O
Formula
C18H19BrNO3
Mass
377.257
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
Dihydroisoquinolines P-bromophenols Anisoles Cyclohexenones Alkyl aryl ethers Aryl bromides Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - Dihydroisoquinoline - Anisole - Phenol ether - 4-bromophenol - 4-halophenol - Alkyl aryl ether - Cyclohexenone - Phenol - Aryl bromide - Aryl halide - Benzenoid - Cyclic ketone - Ketone - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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