(2S)-1-(6-ethyl-5-isoquinolin-6-yl-pyridin-3-yl)oxy-3-(1H-indol-3-yl)propan-2-amine

Systemtic Name: (2S)-1-(6-ethyl-5-isoquinolin-6-yl-pyridin-3-yl)oxy-3-(1H-indol-3-yl)propan-2-amine Openeye Name: (2S)-1-[[6-ethyl-5-(6-isoquinolyl)-3-pyridyl]oxy]-3-(1H-indol-3-yl)propan-2-amine CAS Name: (2S)-1-[[6-ethyl-5-(6-isoquinolinyl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)-2-propanamine IUPAC Name: (2S)-1-(6-ethyl-5-isoquinolin-6-ylpyridin-3-yl)oxy-3-(1H-indol-3-yl)propan-2-amine Traditional Name: [(1S)-1-[[6-ethyl-5-(6-isoquinolyl)-3-pyridyl]oxymethyl]-2-(1H-indol-3-yl)ethyl]amine Formula: C27H26N4O MolecularWeight: 422.52154

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=C(C=C1C2=CC3=C(C=C2)C=NC=C3)OCC(CC4=CNC5=CC=CC=C54)N

Isomeric SMILES

CCC1=NC=C(C=C1C2=CC3=C(C=C2)C=NC=C3)OC[C@H](CC4=CNC5=CC=CC=C54)N

InChI

InChI=1S/C27H26N4O/c1-2-26-25(19-7-8-20-14-29-10-9-18(20)11-19)13-23(16-31-26)32-17-22(28)12-21-15-30-27-6-4-3-5-24(21)27/h3-11,13-16,22,30H,2,12,17,28H2,1H3/t22-/m0/s1