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

Systemtic Name: 6-(4-fluoranyl-3-methyl-phenyl)-4-[(4-methylpiperazin-1-yl)methyl]-2-(2-methylpropyl)pyridazin-3-one Openeye Name: 6-(4-fluoro-3-methyl-phenyl)-2-isobutyl-4-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one CAS Name: 6-(4-fluoro-3-methylphenyl)-4-[(4-methyl-1-piperazinyl)methyl]-2-(2-methylpropyl)-3-pyridazinone IUPAC Name: 6-(4-fluoro-3-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-2-(2-methylpropyl)pyridazin-3-one Traditional Name: 6-(4-fluoro-3-methyl-phenyl)-2-isobutyl-4-[(4-methylpiperazino)methyl]pyridazin-3-one Formula: C21H29FN4O MolecularWeight: 372.479563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29FN4O/c1-15(2)13-26-21(27)18(14-25-9-7-24(4)8-10-25)12-20(23-26)17-5-6-19(22)16(3)11-17/h5-6,11-12,15H,7-10,13-14H2,1-4H3