tert-butyl 4-[[2-(cyclopropylmethyl)-6-(2,3-dihydro-1-benzofuran-5-yl)-3-oxidanylidene-pyridazin-4-yl]methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-(cyclopropylmethyl)-6-(2,3-dihydro-1-benzofuran-5-yl)-3-oxidanylidene-pyridazin-4-yl]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[2-(cyclopropylmethyl)-6-(2,3-dihydrobenzofuran-5-yl)-3-oxo-pyridazin-4-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[2-(cyclopropylmethyl)-6-(2,3-dihydrobenzofuran-5-yl)-3-oxo-4-pyridazinyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-(cyclopropylmethyl)-6-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopyridazin-4-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[6-coumaran-5-yl-2-(cyclopropylmethyl)-3-keto-pyridazin-4-yl]methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H34N4O4 MolecularWeight: 466.57256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC(=NN(C2=O)CC3CC3)C4=CC5=C(C=C4)OCC5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC(=NN(C2=O)CC3CC3)C4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C26H34N4O4/c1-26(2,3)34-25(32)29-11-9-28(10-12-29)17-21-15-22(27-30(24(21)31)16-18-4-5-18)19-6-7-23-20(14-19)8-13-33-23/h6-7,14-15,18H,4-5,8-13,16-17H2,1-3H3