methyl 1-(4-bromanyl-2-fluoranyl-phenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: methyl 1-(4-bromanyl-2-fluoranyl-phenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: methyl 1-(4-bromo-2-fluoro-phenyl)-4-[(1-tert-butoxycarbonyl-4-piperidyl)oxy]-6-oxo-pyridazine-3-carboxylate CAS Name: 1-(4-bromo-2-fluorophenyl)-4-[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]oxy]-6-oxo-3-pyridazinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-bromo-2-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-6-oxopyridazine-3-carboxylate Traditional Name: 1-(4-bromo-2-fluoro-phenyl)-4-[(1-tert-butoxycarbonyl-4-piperidyl)oxy]-6-keto-pyridazine-3-carboxylic acid methyl ester Formula: C22H25BrFN3O6 MolecularWeight: 526.352803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC(=O)N(N=C2C(=O)OC)C3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC(=O)N(N=C2C(=O)OC)C3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C22H25BrFN3O6/c1-22(2,3)33-21(30)26-9-7-14(8-10-26)32-17-12-18(28)27(25-19(17)20(29)31-4)16-6-5-13(23)11-15(16)24/h5-6,11-12,14H,7-10H2,1-4H3