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

Systemtic Name: N-(1H-indol-3-ylmethyl)-2-[5-(3-prop-1-ynylisoquinolin-6-yl)pyridin-3-yl]oxy-ethanamine Openeye Name: N-(1H-indol-3-ylmethyl)-2-[[5-(3-prop-1-ynyl-6-isoquinolyl)-3-pyridyl]oxy]ethanamine CAS Name: N-(1H-indol-3-ylmethyl)-2-[[5-(3-prop-1-ynyl-6-isoquinolinyl)-3-pyridinyl]oxy]ethanamine IUPAC Name: N-(1H-indol-3-ylmethyl)-2-[5-(3-prop-1-ynylisoquinolin-6-yl)pyridin-3-yl]oxyethanamine Traditional Name: 1H-indol-3-ylmethyl-[2-[[5-(3-prop-1-ynyl-6-isoquinolyl)-3-pyridyl]oxy]ethyl]amine Formula: C28H24N4O MolecularWeight: 432.51636

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=CC2=C(C=CC(=C2)C3=CC(=CN=C3)OCCNCC4=CNC5=CC=CC=C54)C=N1

Isomeric SMILES

CC#CC1=CC2=C(C=CC(=C2)C3=CC(=CN=C3)OCCNCC4=CNC5=CC=CC=C54)C=N1

InChI

InChI=1S/C28H24N4O/c1-2-5-25-13-22-12-20(8-9-21(22)17-31-25)23-14-26(19-30-15-23)33-11-10-29-16-24-18-32-28-7-4-3-6-27(24)28/h3-4,6-9,12-15,17-19,29,32H,10-11,16H2,1H3