3-[8-[[1-(1-methylazetidin-3-yl)carbonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzenecarbonitrile

Systemtic Name: 3-[8-[[1-(1-methylazetidin-3-yl)carbonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-[[1-(1-methylazetidine-3-carbonyl)-4-piperidyl]amino]-6-isoquinolyl]benzonitrile CAS Name: 3-[8-[[1-[(1-methyl-3-azetidinyl)-oxomethyl]-4-piperidinyl]amino]-6-isoquinolinyl]benzonitrile IUPAC Name: 3-[8-[[1-(1-methylazetidine-3-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile Traditional Name: 3-[8-[[1-(1-methylazetidine-3-carbonyl)-4-piperidyl]amino]-6-isoquinolyl]benzonitrile Formula: C26H27N5O MolecularWeight: 425.52548

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C1)C(=O)N2CCC(CC2)NC3=C4C=NC=CC4=CC(=C3)C5=CC=CC(=C5)C#N

Isomeric SMILES

CN1CC(C1)C(=O)N2CCC(CC2)NC3=C4C=NC=CC4=CC(=C3)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C26H27N5O/c1-30-16-22(17-30)26(32)31-9-6-23(7-10-31)29-25-13-21(12-20-5-8-28-15-24(20)25)19-4-2-3-18(11-19)14-27/h2-5,8,11-13,15,22-23,29H,6-7,9-10,16-17H2,1H3