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

Systemtic Name: tert-butyl 4-[[2-(cyclopropylmethyl)-6-(3-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-pyridazin-4-yl]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxy-phenyl)-3-oxo-pyridazin-4-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-3-oxo-4-pyridazinyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-3-oxopyridazin-4-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxy-phenyl)-3-keto-pyridazin-4-yl]methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H33FN4O4 MolecularWeight: 472.552323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC(=NN(C2=O)CC3CC3)C4=CC(=C(C=C4)OC)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC(=NN(C2=O)CC3CC3)C4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C25H33FN4O4/c1-25(2,3)34-24(32)29-11-9-28(10-12-29)16-19-14-21(18-7-8-22(33-4)20(26)13-18)27-30(23(19)31)15-17-5-6-17/h7-8,13-14,17H,5-6,9-12,15-16H2,1-4H3