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

Systemtic Name: tert-butyl 4-[[6-(4-fluoranyl-3-methyl-phenyl)-3-oxidanylidene-2-(phenylmethyl)pyridazin-4-yl]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[2-benzyl-6-(4-fluoro-3-methyl-phenyl)-3-oxo-pyridazin-4-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[6-(4-fluoro-3-methylphenyl)-3-oxo-2-(phenylmethyl)-4-pyridazinyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-benzyl-6-(4-fluoro-3-methylphenyl)-3-oxopyridazin-4-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[2-benzyl-6-(4-fluoro-3-methyl-phenyl)-3-keto-pyridazin-4-yl]methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C28H33FN4O3 MolecularWeight: 492.585023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN(C(=O)C(=C2)CN3CCN(CC3)C(=O)OC(C)(C)C)CC4=CC=CC=C4)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN(C(=O)C(=C2)CN3CCN(CC3)C(=O)OC(C)(C)C)CC4=CC=CC=C4)F

InChI

InChI=1S/C28H33FN4O3/c1-20-16-22(10-11-24(20)29)25-17-23(26(34)33(30-25)18-21-8-6-5-7-9-21)19-31-12-14-32(15-13-31)27(35)36-28(2,3)4/h5-11,16-17H,12-15,18-19H2,1-4H3