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

Systemtic Name: tert-butyl 4-[[2-(cyclopentylmethyl)-6-(3-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-pyridazin-4-yl]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxy-phenyl)-3-oxo-pyridazin-4-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-3-oxo-4-pyridazinyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-3-oxopyridazin-4-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxy-phenyl)-3-keto-pyridazin-4-yl]methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C27H37FN4O4 MolecularWeight: 500.605483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC(=NN(C2=O)CC3CCCC3)C4=CC(=C(C=C4)OC)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC(=NN(C2=O)CC3CCCC3)C4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C27H37FN4O4/c1-27(2,3)36-26(34)31-13-11-30(12-14-31)18-21-16-23(20-9-10-24(35-4)22(28)15-20)29-32(25(21)33)17-19-7-5-6-8-19/h9-10,15-16,19H,5-8,11-14,17-18H2,1-4H3