3-[8-[1-(1-pyridin-3-ylcarbonylpiperidin-4-yl)carbonylpiperidin-4-yl]oxyisoquinolin-6-yl]benzenecarbonitrile

Systemtic Name: 3-[8-[1-(1-pyridin-3-ylcarbonylpiperidin-4-yl)carbonylpiperidin-4-yl]oxyisoquinolin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-[[1-[1-(pyridine-3-carbonyl)piperidine-4-carbonyl]-4-piperidyl]oxy]-6-isoquinolyl]benzonitrile CAS Name: 3-[8-[[1-[oxo-[1-[oxo(3-pyridinyl)methyl]-4-piperidinyl]methyl]-4-piperidinyl]oxy]-6-isoquinolinyl]benzonitrile IUPAC Name: 3-[8-[1-[1-(pyridine-3-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile Traditional Name: 3-[8-[[1-(1-nicotinoylisonipecotoyl)-4-piperidyl]oxy]-6-isoquinolyl]benzonitrile Formula: C33H31N5O3 MolecularWeight: 545.63094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCC(CC2)OC3=C4C=NC=CC4=CC(=C3)C5=CC=CC(=C5)C#N)C(=O)C6=CN=CC=C6

Isomeric SMILES

C1CN(CCC1C(=O)N2CCC(CC2)OC3=C4C=NC=CC4=CC(=C3)C5=CC=CC(=C5)C#N)C(=O)C6=CN=CC=C6

InChI

InChI=1S/C33H31N5O3/c34-20-23-3-1-4-25(17-23)28-18-26-6-12-36-22-30(26)31(19-28)41-29-9-15-38(16-10-29)32(39)24-7-13-37(14-8-24)33(40)27-5-2-11-35-21-27/h1-6,11-12,17-19,21-22,24,29H,7-10,13-16H2