Compound Identification
SMILES
BrC1=CC=C(S1)C(N1CCNCC1)C1=CC2=C(C=C1)C=NC=C2
InChIKey
InChIKey=NNFNOZJQUYCWFA-UHFFFAOYSA-N
Formula
C18H18BrN3S
Mass
388.33
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
N-alkylpiperazines Aralkylamines 2,5-disubstituted thiophenes Pyridines and derivatives Benzenoids Aryl bromides Heteroaromatic compounds Trialkylamines Dialkylamines Azacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinoline - N-alkylpiperazine - 2,5-disubstituted thiophene - Aralkylamine - Aryl bromide - Aryl halide - 1,4-diazinane - Piperazine - Pyridine - Benzenoid - Thiophene - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Secondary amine - Secondary aliphatic amine - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - 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