2-(4-methylsulfonylphenyl)-5-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-pyridazin-3-one

Systemtic Name: 2-(4-methylsulfonylphenyl)-5-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-pyridazin-3-one Openeye Name: 2-(4-methylsulfonylphenyl)-5-[[1-(5-propylpyrimidin-2-yl)-4-piperidyl]oxy]pyridazin-3-one CAS Name: 2-(4-methylsulfonylphenyl)-5-[[1-(5-propyl-2-pyrimidinyl)-4-piperidinyl]oxy]-3-pyridazinone IUPAC Name: 2-(4-methylsulfonylphenyl)-5-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazin-3-one Traditional Name: 2-(4-mesylphenyl)-5-[[1-(5-propylpyrimidin-2-yl)-4-piperidyl]oxy]pyridazin-3-one Formula: C23H27N5O4S MolecularWeight: 469.55658

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(N=C1)N2CCC(CC2)OC3=CC(=O)N(N=C3)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCCC1=CN=C(N=C1)N2CCC(CC2)OC3=CC(=O)N(N=C3)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C23H27N5O4S/c1-3-4-17-14-24-23(25-15-17)27-11-9-19(10-12-27)32-20-13-22(29)28(26-16-20)18-5-7-21(8-6-18)33(2,30)31/h5-8,13-16,19H,3-4,9-12H2,1-2H3