2-[[(3R)-1-(2-cyclohexylethanoyl)piperidin-3-yl]methyl]-6-thiophen-2-yl-pyridazin-3-one

Systemtic Name: 2-[[(3R)-1-(2-cyclohexylethanoyl)piperidin-3-yl]methyl]-6-thiophen-2-yl-pyridazin-3-one Openeye Name: 2-[[(3R)-1-(2-cyclohexylacetyl)-3-piperidyl]methyl]-6-(2-thienyl)pyridazin-3-one CAS Name: 2-[[(3R)-1-(2-cyclohexyl-1-oxoethyl)-3-piperidinyl]methyl]-6-thiophen-2-yl-3-pyridazinone IUPAC Name: 2-[[(3R)-1-(2-cyclohexylacetyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one Traditional Name: 2-[[(3R)-1-(2-cyclohexylacetyl)-3-piperidyl]methyl]-6-(2-thienyl)pyridazin-3-one Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(=O)N2CCCC(C2)CN3C(=O)C=CC(=N3)C4=CC=CS4

Isomeric SMILES

C1CCC(CC1)CC(=O)N2CCC[C@H](C2)CN3C(=O)C=CC(=N3)C4=CC=CS4

InChI

InChI=1S/C22H29N3O2S/c26-21-11-10-19(20-9-5-13-28-20)23-25(21)16-18-8-4-12-24(15-18)22(27)14-17-6-2-1-3-7-17/h5,9-11,13,17-18H,1-4,6-8,12,14-16H2/t18-/m1/s1