N-(3-bromanyl-4-ethyl-phenyl)-4-[2-(2-methoxypyridin-4-yl)ethyl]isoquinolin-1-amine

Systemtic Name: N-(3-bromanyl-4-ethyl-phenyl)-4-[2-(2-methoxypyridin-4-yl)ethyl]isoquinolin-1-amine Openeye Name: N-(3-bromo-4-ethyl-phenyl)-4-[2-(2-methoxy-4-pyridyl)ethyl]isoquinolin-1-amine CAS Name: N-(3-bromo-4-ethylphenyl)-4-[2-(2-methoxy-4-pyridinyl)ethyl]-1-isoquinolinamine IUPAC Name: N-(3-bromo-4-ethylphenyl)-4-[2-(2-methoxypyridin-4-yl)ethyl]isoquinolin-1-amine Traditional Name: (3-bromo-4-ethyl-phenyl)-[4-[2-(2-methoxy-4-pyridyl)ethyl]-1-isoquinolyl]amine Formula: C25H24BrN3O MolecularWeight: 462.38156

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)CCC4=CC(=NC=C4)OC)Br

Isomeric SMILES

CCC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)CCC4=CC(=NC=C4)OC)Br

InChI

InChI=1S/C25H24BrN3O/c1-3-18-10-11-20(15-23(18)26)29-25-22-7-5-4-6-21(22)19(16-28-25)9-8-17-12-13-27-24(14-17)30-2/h4-7,10-16H,3,8-9H2,1-2H3,(H,28,29)