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

Systemtic Name: tert-butyl 4-[3-[6-(3-fluoranyl-4-methoxy-phenyl)-2-[(4-fluorophenyl)methyl]-3-oxidanylidene-pyridazin-4-yl]propyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[6-(3-fluoro-4-methoxy-phenyl)-2-[(4-fluorophenyl)methyl]-3-oxo-pyridazin-4-yl]propyl]piperazine-1-carboxylate CAS Name: 4-[3-[6-(3-fluoro-4-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-3-oxo-4-pyridazinyl]propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[6-(3-fluoro-4-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-3-oxopyridazin-4-yl]propyl]piperazine-1-carboxylate Traditional Name: 4-[3-[2-(4-fluorobenzyl)-6-(3-fluoro-4-methoxy-phenyl)-3-keto-pyridazin-4-yl]propyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C30H36F2N4O4 MolecularWeight: 554.628046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCCC2=CC(=NN(C2=O)CC3=CC=C(C=C3)F)C4=CC(=C(C=C4)OC)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCCC2=CC(=NN(C2=O)CC3=CC=C(C=C3)F)C4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C30H36F2N4O4/c1-30(2,3)40-29(38)35-16-14-34(15-17-35)13-5-6-23-19-26(22-9-12-27(39-4)25(32)18-22)33-36(28(23)37)20-21-7-10-24(31)11-8-21/h7-12,18-19H,5-6,13-17,20H2,1-4H3