tert-butyl 4-[[6-(5-fluoranyl-5-methyl-cyclohexa-1,3-dien-1-yl)-3-oxidanylidene-2-(phenylmethyl)pyridazin-4-yl]methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[6-(5-fluoranyl-5-methyl-cyclohexa-1,3-dien-1-yl)-3-oxidanylidene-2-(phenylmethyl)pyridazin-4-yl]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[2-benzyl-6-(5-fluoro-5-methyl-cyclohexa-1,3-dien-1-yl)-3-oxo-pyridazin-4-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[6-(5-fluoro-5-methyl-1-cyclohexa-1,3-dienyl)-3-oxo-2-(phenylmethyl)-4-pyridazinyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-benzyl-6-(5-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-3-oxopyridazin-4-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[2-benzyl-6-(5-fluoro-5-methyl-cyclohexa-1,3-dien-1-yl)-3-keto-pyridazin-4-yl]methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C28H35FN4O3 MolecularWeight: 494.600903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35FN4O3/c1-27(2,3)36-26(35)32-15-13-31(14-16-32)20-23-17-24(22-11-8-12-28(4,29)18-22)30-33(25(23)34)19-21-9-6-5-7-10-21/h5-12,17H,13-16,18-20H2,1-4H3