2-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]oxy-1-(3-thiophen-2-ylcarbonylpiperidin-1-yl)ethanone

Systemtic Name: 2-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]oxy-1-(3-thiophen-2-ylcarbonylpiperidin-1-yl)ethanone Openeye Name: 2-[6-[4-(2-pyridyl)piperazin-1-yl]pyridazin-3-yl]oxy-1-[3-(thiophene-2-carbonyl)-1-piperidyl]ethanone CAS Name: 1-[3-[oxo(thiophen-2-yl)methyl]-1-piperidinyl]-2-[[6-[4-(2-pyridinyl)-1-piperazinyl]-3-pyridazinyl]oxy]ethanone IUPAC Name: 2-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]oxy-1-[3-(thiophene-2-carbonyl)piperidin-1-yl]ethanone Traditional Name: 2-[6-[4-(2-pyridyl)piperazino]pyridazin-3-yl]oxy-1-[3-(2-thenoyl)piperidino]ethanone Formula: C25H28N6O3S MolecularWeight: 492.59322

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC2=NN=C(C=C2)N3CCN(CC3)C4=CC=CC=N4)C(=O)C5=CC=CS5

Isomeric SMILES

C1CC(CN(C1)C(=O)COC2=NN=C(C=C2)N3CCN(CC3)C4=CC=CC=N4)C(=O)C5=CC=CS5

InChI

InChI=1S/C25H28N6O3S/c32-24(31-11-3-5-19(17-31)25(33)20-6-4-16-35-20)18-34-23-9-8-22(27-28-23)30-14-12-29(13-15-30)21-7-1-2-10-26-21/h1-2,4,6-10,16,19H,3,5,11-15,17-18H2