2-[5-(1-ethynylisoquinolin-6-yl)pyridin-3-yl]oxy-N-(1H-indol-3-ylmethyl)ethanamine

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

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=NC=CC2=C1C=CC(=C2)C3=CC(=CN=C3)OCCNCC4=CNC5=CC=CC=C54

Isomeric SMILES

C#CC1=NC=CC2=C1C=CC(=C2)C3=CC(=CN=C3)OCCNCC4=CNC5=CC=CC=C54

InChI

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