3-[8-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzenecarbonitrile

Systemtic Name: 3-[8-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-[[1-(1-methylimidazol-4-yl)sulfonyl-4-piperidyl]amino]-6-isoquinolyl]benzonitrile CAS Name: 3-[8-[[1-[(1-methyl-4-imidazolyl)sulfonyl]-4-piperidinyl]amino]-6-isoquinolinyl]benzonitrile IUPAC Name: 3-[8-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile Traditional Name: 3-[8-[[1-(1-methylimidazol-4-yl)sulfonyl-4-piperidyl]amino]-6-isoquinolyl]benzonitrile Formula: C25H24N6O2S MolecularWeight: 472.56206

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)S(=O)(=O)N2CCC(CC2)NC3=C4C=NC=CC4=CC(=C3)C5=CC=CC(=C5)C#N

Isomeric SMILES

CN1C=C(N=C1)S(=O)(=O)N2CCC(CC2)NC3=C4C=NC=CC4=CC(=C3)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C25H24N6O2S/c1-30-16-25(28-17-30)34(32,33)31-9-6-22(7-10-31)29-24-13-21(12-20-5-8-27-15-23(20)24)19-4-2-3-18(11-19)14-26/h2-5,8,11-13,15-17,22,29H,6-7,9-10H2,1H3