1-[4-[4-[1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-4-yl]carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-4-yl]carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[1-[6-(2-thienyl)pyridazin-3-yl]piperidine-4-carbonyl]piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[oxo-[1-(6-thiophen-2-yl-3-pyridazinyl)-4-piperidinyl]methyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carbonyl]piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[1-[6-(2-thienyl)pyridazin-3-yl]isonipecotoyl]piperazino]phenyl]ethanone Formula: C26H29N5O2S MolecularWeight: 475.60576

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCN(CC3)C4=NN=C(C=C4)C5=CC=CS5

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCN(CC3)C4=NN=C(C=C4)C5=CC=CS5

InChI

InChI=1S/C26H29N5O2S/c1-19(32)20-4-6-22(7-5-20)29-14-16-31(17-15-29)26(33)21-10-12-30(13-11-21)25-9-8-23(27-28-25)24-3-2-18-34-24/h2-9,18,21H,10-17H2,1H3