tert-butyl 4-[[6-(3-fluoranyl-4-methoxy-phenyl)-2-(2-methylpropyl)-3-oxidanylidene-pyridazin-4-yl]methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[6-(3-fluoranyl-4-methoxy-phenyl)-2-(2-methylpropyl)-3-oxidanylidene-pyridazin-4-yl]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[6-(3-fluoro-4-methoxy-phenyl)-2-isobutyl-3-oxo-pyridazin-4-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[6-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropyl)-3-oxo-4-pyridazinyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[6-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazin-4-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[6-(3-fluoro-4-methoxy-phenyl)-2-isobutyl-3-keto-pyridazin-4-yl]methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H35FN4O4 MolecularWeight: 474.568203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C(=CC(=N1)C2=CC(=C(C=C2)OC)F)CN3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CN1C(=O)C(=CC(=N1)C2=CC(=C(C=C2)OC)F)CN3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H35FN4O4/c1-17(2)15-30-23(31)19(14-21(27-30)18-7-8-22(33-6)20(26)13-18)16-28-9-11-29(12-10-28)24(32)34-25(3,4)5/h7-8,13-14,17H,9-12,15-16H2,1-6H3