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

Systemtic Name: benzene; 2-(2-ethynyl-5-isoquinolin-6-yl-pyridin-3-yl)oxy-N-(1H-indol-3-ylmethyl)ethanamine Openeye Name: benzene; 2-[[2-ethynyl-5-(6-isoquinolyl)-3-pyridyl]oxy]-N-(1H-indol-3-ylmethyl)ethanamine CAS Name: benzene; 2-[[2-ethynyl-5-(6-isoquinolinyl)-3-pyridinyl]oxy]-N-(1H-indol-3-ylmethyl)ethanamine IUPAC Name: benzene; 2-(2-ethynyl-5-isoquinolin-6-ylpyridin-3-yl)oxy-N-(1H-indol-3-ylmethyl)ethanamine Traditional Name: benzene; 2-[[2-ethynyl-5-(6-isoquinolyl)-3-pyridyl]oxy]ethyl-(1H-indol-3-ylmethyl)amine Formula: C33H28N4O MolecularWeight: 496.60162

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C(C=C(C=N1)C2=CC3=C(C=C2)C=NC=C3)OCCNCC4=CNC5=CC=CC=C54.C1=CC=CC=C1

Isomeric SMILES

C#CC1=C(C=C(C=N1)C2=CC3=C(C=C2)C=NC=C3)OCCNCC4=CNC5=CC=CC=C54.C1=CC=CC=C1

InChI

InChI=1S/C27H22N4O.C6H6/c1-2-25-27(32-12-11-29-16-23-18-31-26-6-4-3-5-24(23)26)14-22(17-30-25)19-7-8-21-15-28-10-9-20(21)13-19;1-2-4-6-5-3-1/h1,3-10,13-15,17-18,29,31H,11-12,16H2;1-6H