2-[[1-(1,3-benzodioxol-5-ylcarbonyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one

Systemtic Name: 2-[[1-(1,3-benzodioxol-5-ylcarbonyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one Openeye Name: 2-[[1-(1,3-benzodioxole-5-carbonyl)-4-piperidyl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one CAS Name: 2-[[1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-piperidinyl]methyl]-6-(4-methoxyphenyl)-3-pyridazinone IUPAC Name: 2-[[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one Traditional Name: 6-(4-methoxyphenyl)-2-[(1-piperonyloyl-4-piperidyl)methyl]pyridazin-3-one Formula: C25H25N3O5 MolecularWeight: 447.4831

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H25N3O5/c1-31-20-5-2-18(3-6-20)21-7-9-24(29)28(26-21)15-17-10-12-27(13-11-17)25(30)19-4-8-22-23(14-19)33-16-32-22/h2-9,14,17H,10-13,15-16H2,1H3