6-(3,4-dimethoxyphenyl)-2-[(1-thiophen-2-ylcarbonylpiperidin-4-yl)methyl]pyridazin-3-one

Systemtic Name: 6-(3,4-dimethoxyphenyl)-2-[(1-thiophen-2-ylcarbonylpiperidin-4-yl)methyl]pyridazin-3-one Openeye Name: 6-(3,4-dimethoxyphenyl)-2-[[1-(thiophene-2-carbonyl)-4-piperidyl]methyl]pyridazin-3-one CAS Name: 6-(3,4-dimethoxyphenyl)-2-[[1-[oxo(thiophen-2-yl)methyl]-4-piperidinyl]methyl]-3-pyridazinone IUPAC Name: 6-(3,4-dimethoxyphenyl)-2-[[1-(thiophene-2-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one Traditional Name: 6-(3,4-dimethoxyphenyl)-2-[[1-(2-thenoyl)-4-piperidyl]methyl]pyridazin-3-one Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC3CCN(CC3)C(=O)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC3CCN(CC3)C(=O)C4=CC=CS4)OC

InChI

InChI=1S/C23H25N3O4S/c1-29-19-7-5-17(14-20(19)30-2)18-6-8-22(27)26(24-18)15-16-9-11-25(12-10-16)23(28)21-4-3-13-31-21/h3-8,13-14,16H,9-12,15H2,1-2H3