6-(3-fluoranyl-4-methoxy-phenyl)-4-[(4-methylpiperazin-1-yl)methyl]-2-(2-methylpropyl)pyridazin-3-one

Systemtic Name: 6-(3-fluoranyl-4-methoxy-phenyl)-4-[(4-methylpiperazin-1-yl)methyl]-2-(2-methylpropyl)pyridazin-3-one Openeye Name: 6-(3-fluoro-4-methoxy-phenyl)-2-isobutyl-4-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one CAS Name: 6-(3-fluoro-4-methoxyphenyl)-4-[(4-methyl-1-piperazinyl)methyl]-2-(2-methylpropyl)-3-pyridazinone IUPAC Name: 6-(3-fluoro-4-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-2-(2-methylpropyl)pyridazin-3-one Traditional Name: 6-(3-fluoro-4-methoxy-phenyl)-2-isobutyl-4-[(4-methylpiperazino)methyl]pyridazin-3-one Formula: C21H29FN4O2 MolecularWeight: 388.478963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C(=CC(=N1)C2=CC(=C(C=C2)OC)F)CN3CCN(CC3)C

Isomeric SMILES

CC(C)CN1C(=O)C(=CC(=N1)C2=CC(=C(C=C2)OC)F)CN3CCN(CC3)C

InChI

InChI=1S/C21H29FN4O2/c1-15(2)13-26-21(27)17(14-25-9-7-24(3)8-10-25)12-19(23-26)16-5-6-20(28-4)18(22)11-16/h5-6,11-12,15H,7-10,13-14H2,1-4H3