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

Systemtic Name: 3-[8-[[1-(6-methylpyridin-3-yl)carbonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-[[1-(6-methylpyridine-3-carbonyl)-4-piperidyl]amino]-6-isoquinolyl]benzonitrile CAS Name: 3-[8-[[1-[(6-methyl-3-pyridinyl)-oxomethyl]-4-piperidinyl]amino]-6-isoquinolinyl]benzonitrile IUPAC Name: 3-[8-[[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile Traditional Name: 3-[8-[[1-(6-methylnicotinoyl)-4-piperidyl]amino]-6-isoquinolyl]benzonitrile Formula: C28H25N5O MolecularWeight: 447.531

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)N2CCC(CC2)NC3=C4C=NC=CC4=CC(=C3)C5=CC=CC(=C5)C#N

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)N2CCC(CC2)NC3=C4C=NC=CC4=CC(=C3)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C28H25N5O/c1-19-5-6-23(17-31-19)28(34)33-11-8-25(9-12-33)32-27-15-24(14-22-7-10-30-18-26(22)27)21-4-2-3-20(13-21)16-29/h2-7,10,13-15,17-18,25,32H,8-9,11-12H2,1H3