2-[[1-(4-methoxycyclohexyl)carbonylpiperidin-4-yl]methyl]-6-thiophen-2-yl-pyridazin-3-one

Systemtic Name: 2-[[1-(4-methoxycyclohexyl)carbonylpiperidin-4-yl]methyl]-6-thiophen-2-yl-pyridazin-3-one Openeye Name: 2-[[1-(4-methoxycyclohexanecarbonyl)-4-piperidyl]methyl]-6-(2-thienyl)pyridazin-3-one CAS Name: 2-[[1-[(4-methoxycyclohexyl)-oxomethyl]-4-piperidinyl]methyl]-6-thiophen-2-yl-3-pyridazinone IUPAC Name: 2-[[1-(4-methoxycyclohexanecarbonyl)piperidin-4-yl]methyl]-6-thiophen-2-ylpyridazin-3-one Traditional Name: 2-[[1-(4-methoxycyclohexanecarbonyl)-4-piperidyl]methyl]-6-(2-thienyl)pyridazin-3-one Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCC(CC1)C(=O)N2CCC(CC2)CN3C(=O)C=CC(=N3)C4=CC=CS4

Isomeric SMILES

COC1CCC(CC1)C(=O)N2CCC(CC2)CN3C(=O)C=CC(=N3)C4=CC=CS4

InChI

InChI=1S/C22H29N3O3S/c1-28-18-6-4-17(5-7-18)22(27)24-12-10-16(11-13-24)15-25-21(26)9-8-19(23-25)20-3-2-14-29-20/h2-3,8-9,14,16-18H,4-7,10-13,15H2,1H3