tert-butyl 4-[4-[[6-(4-methoxyphenyl)sulfanylpyridazin-3-yl]methyl]piperidin-1-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[[6-(4-methoxyphenyl)sulfanylpyridazin-3-yl]methyl]piperidin-1-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[[6-(4-methoxyphenyl)sulfanylpyridazin-3-yl]methyl]-1-piperidyl]piperidine-1-carboxylate CAS Name: 4-[4-[[6-[(4-methoxyphenyl)thio]-3-pyridazinyl]methyl]-1-piperidinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[[6-(4-methoxyphenyl)sulfanylpyridazin-3-yl]methyl]piperidin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[[6-[(4-methoxyphenyl)thio]pyridazin-3-yl]methyl]piperidino]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H38N4O3S MolecularWeight: 498.68062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N2CCC(CC2)CC3=NN=C(C=C3)SC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N2CCC(CC2)CC3=NN=C(C=C3)SC4=CC=C(C=C4)OC

InChI

InChI=1S/C27H38N4O3S/c1-27(2,3)34-26(32)31-17-13-22(14-18-31)30-15-11-20(12-16-30)19-21-5-10-25(29-28-21)35-24-8-6-23(33-4)7-9-24/h5-10,20,22H,11-19H2,1-4H3