Compound Identification
SMILES
COC1=C(OC)C=C2C(=CN=C(NC3=CC(Br)=CC=C3)C2=C1)C#N
InChIKey
InChIKey=KCTRDGYZIGFRDH-UHFFFAOYSA-N
Formula
C18H14BrN3O2
Mass
384.233
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isoquinolines and derivatives
Alternative Parents
Anisoles Aniline and substituted anilines Bromobenzenes Aminopyridines and derivatives Alkyl aryl ethers Imidolactams Aryl bromides Heteroaromatic compounds Secondary amines Nitriles Azacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinoline - Anisole - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Aminopyridine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Imidolactam - Pyridine - Benzenoid - Heteroaromatic compound - Nitrile - Carbonitrile - Azacycle - Ether - Secondary amine - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Cyanide - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
External Descriptors
Not available