N-(3-bromanyl-4-methyl-phenyl)-4-[(6-methoxypyridin-3-yl)methyl]isoquinolin-1-amine

Systemtic Name: N-(3-bromanyl-4-methyl-phenyl)-4-[(6-methoxypyridin-3-yl)methyl]isoquinolin-1-amine Openeye Name: N-(3-bromo-4-methyl-phenyl)-4-[(6-methoxy-3-pyridyl)methyl]isoquinolin-1-amine CAS Name: N-(3-bromo-4-methylphenyl)-4-[(6-methoxy-3-pyridinyl)methyl]-1-isoquinolinamine IUPAC Name: N-(3-bromo-4-methylphenyl)-4-[(6-methoxypyridin-3-yl)methyl]isoquinolin-1-amine Traditional Name: (3-bromo-4-methyl-phenyl)-[4-[(6-methoxy-3-pyridyl)methyl]-1-isoquinolyl]amine Formula: C23H20BrN3O MolecularWeight: 434.3284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)CC4=CN=C(C=C4)OC)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)CC4=CN=C(C=C4)OC)Br

InChI

InChI=1S/C23H20BrN3O/c1-15-7-9-18(12-21(15)24)27-23-20-6-4-3-5-19(20)17(14-26-23)11-16-8-10-22(28-2)25-13-16/h3-10,12-14H,11H2,1-2H3,(H,26,27)