2-[3-[8-[[1-(6-methylpyridin-3-yl)carbonylpiperidin-4-yl]amino]isoquinolin-6-yl]phenyl]ethanenitrile

Systemtic Name: 2-[3-[8-[[1-(6-methylpyridin-3-yl)carbonylpiperidin-4-yl]amino]isoquinolin-6-yl]phenyl]ethanenitrile Openeye Name: 2-[3-[8-[[1-(6-methylpyridine-3-carbonyl)-4-piperidyl]amino]-6-isoquinolyl]phenyl]acetonitrile CAS Name: 2-[3-[8-[[1-[(6-methyl-3-pyridinyl)-oxomethyl]-4-piperidinyl]amino]-6-isoquinolinyl]phenyl]acetonitrile IUPAC Name: 2-[3-[8-[[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]phenyl]acetonitrile Traditional Name: 2-[3-[8-[[1-(6-methylnicotinoyl)-4-piperidyl]amino]-6-isoquinolyl]phenyl]acetonitrile Formula: C29H27N5O MolecularWeight: 461.55758

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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)CC#N

Isomeric SMILES

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

InChI

InChI=1S/C29H27N5O/c1-20-5-6-24(18-32-20)29(35)34-13-9-26(10-14-34)33-28-17-25(16-23-8-12-31-19-27(23)28)22-4-2-3-21(15-22)7-11-30/h2-6,8,12,15-19,26,33H,7,9-10,13-14H2,1H3