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

Systemtic Name: 6-(4-fluoranyl-3-methyl-phenyl)-4-[(4-methylpiperazin-1-yl)methyl]-2-(phenylmethyl)pyridazin-3-one Openeye Name: 2-benzyl-6-(4-fluoro-3-methyl-phenyl)-4-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one CAS Name: 6-(4-fluoro-3-methylphenyl)-4-[(4-methyl-1-piperazinyl)methyl]-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 2-benzyl-6-(4-fluoro-3-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one Traditional Name: 2-benzyl-6-(4-fluoro-3-methyl-phenyl)-4-[(4-methylpiperazino)methyl]pyridazin-3-one Formula: C24H27FN4O MolecularWeight: 406.495783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN(C(=O)C(=C2)CN3CCN(CC3)C)CC4=CC=CC=C4)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN(C(=O)C(=C2)CN3CCN(CC3)C)CC4=CC=CC=C4)F

InChI

InChI=1S/C24H27FN4O/c1-18-14-20(8-9-22(18)25)23-15-21(17-28-12-10-27(2)11-13-28)24(30)29(26-23)16-19-6-4-3-5-7-19/h3-9,14-15H,10-13,16-17H2,1-2H3