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

Systemtic Name: tert-butyl 4-[1-(4-bromanyl-3-fluoranyl-phenyl)-3-cyano-6-oxidanylidene-pyridazin-4-yl]oxypiperidine-1-carboxylate Openeye Name: tert-butyl 4-[1-(4-bromo-3-fluoro-phenyl)-3-cyano-6-oxo-pyridazin-4-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[1-(4-bromo-3-fluorophenyl)-3-cyano-6-oxo-4-pyridazinyl]oxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(4-bromo-3-fluorophenyl)-3-cyano-6-oxopyridazin-4-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[1-(4-bromo-3-fluoro-phenyl)-3-cyano-6-keto-pyridazin-4-yl]oxypiperidine-1-carboxylic acid tert-butyl ester Formula: C21H22BrFN4O4 MolecularWeight: 493.326183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrFN4O4/c1-21(2,3)31-20(29)26-8-6-14(7-9-26)30-18-11-19(28)27(25-17(18)12-24)13-4-5-15(22)16(23)10-13/h4-5,10-11,14H,6-9H2,1-3H3