tert-butyl 4-[1-(4-cyano-3-fluoranyl-phenyl)-3-(hydroxymethyl)-6-oxidanylidene-pyridazin-4-yl]oxypiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(4-cyano-3-fluoranyl-phenyl)-3-(hydroxymethyl)-6-oxidanylidene-pyridazin-4-yl]oxypiperidine-1-carboxylate Openeye Name: tert-butyl 4-[1-(4-cyano-3-fluoro-phenyl)-3-(hydroxymethyl)-6-oxo-pyridazin-4-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[1-(4-cyano-3-fluorophenyl)-3-(hydroxymethyl)-6-oxo-4-pyridazinyl]oxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(4-cyano-3-fluorophenyl)-3-(hydroxymethyl)-6-oxopyridazin-4-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[1-(4-cyano-3-fluoro-phenyl)-6-keto-3-methylol-pyridazin-4-yl]oxypiperidine-1-carboxylic acid tert-butyl ester Formula: C22H25FN4O5 MolecularWeight: 444.456103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC(=O)N(N=C2CO)C3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC(=O)N(N=C2CO)C3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C22H25FN4O5/c1-22(2,3)32-21(30)26-8-6-16(7-9-26)31-19-11-20(29)27(25-18(19)13-28)15-5-4-14(12-24)17(23)10-15/h4-5,10-11,16,28H,6-9,13H2,1-3H3