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

Systemtic Name: tert-butyl 4-[[6-(3-fluoranyl-4-methyl-phenyl)-2-(2-methylpropyl)-3-oxidanylidene-pyridazin-4-yl]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[6-(3-fluoro-4-methyl-phenyl)-2-isobutyl-3-oxo-pyridazin-4-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[6-(3-fluoro-4-methylphenyl)-2-(2-methylpropyl)-3-oxo-4-pyridazinyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[6-(3-fluoro-4-methylphenyl)-2-(2-methylpropyl)-3-oxopyridazin-4-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[6-(3-fluoro-4-methyl-phenyl)-2-isobutyl-3-keto-pyridazin-4-yl]methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H35FN4O3 MolecularWeight: 458.568803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C(=C2)CN3CCN(CC3)C(=O)OC(C)(C)C)CC(C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C(=C2)CN3CCN(CC3)C(=O)OC(C)(C)C)CC(C)C)F

InChI

InChI=1S/C25H35FN4O3/c1-17(2)15-30-23(31)20(14-22(27-30)19-8-7-18(3)21(26)13-19)16-28-9-11-29(12-10-28)24(32)33-25(4,5)6/h7-8,13-14,17H,9-12,15-16H2,1-6H3