2-(6-ethynyl-5-isoquinolin-6-yl-pyridin-3-yl)oxy-N-(1H-indol-3-ylmethyl)ethanamine

Systemtic Name: 2-(6-ethynyl-5-isoquinolin-6-yl-pyridin-3-yl)oxy-N-(1H-indol-3-ylmethyl)ethanamine Openeye Name: 2-[[6-ethynyl-5-(6-isoquinolyl)-3-pyridyl]oxy]-N-(1H-indol-3-ylmethyl)ethanamine CAS Name: 2-[[6-ethynyl-5-(6-isoquinolinyl)-3-pyridinyl]oxy]-N-(1H-indol-3-ylmethyl)ethanamine IUPAC Name: 2-(6-ethynyl-5-isoquinolin-6-ylpyridin-3-yl)oxy-N-(1H-indol-3-ylmethyl)ethanamine Traditional Name: 2-[[6-ethynyl-5-(6-isoquinolyl)-3-pyridyl]oxy]ethyl-(1H-indol-3-ylmethyl)amine Formula: C27H22N4O MolecularWeight: 418.48978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=NC=C(C=C1C2=CC3=C(C=C2)C=NC=C3)OCCNCC4=CNC5=CC=CC=C54

Isomeric SMILES

C#CC1=NC=C(C=C1C2=CC3=C(C=C2)C=NC=C3)OCCNCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C27H22N4O/c1-2-26-25(20-7-8-21-15-28-10-9-19(21)13-20)14-23(18-31-26)32-12-11-29-16-22-17-30-27-6-4-3-5-24(22)27/h1,3-10,13-15,17-18,29-30H,11-12,16H2