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

Systemtic Name: 6-(4-fluoranyl-3-methyl-phenyl)-4-[(4-methylpiperazin-1-yl)methyl]-2-[(E)-3-phenylprop-2-enyl]pyridazin-3-one Openeye Name: 2-[(E)-cinnamyl]-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-[(E)-3-phenylprop-2-enyl]-3-pyridazinone IUPAC Name: 6-(4-fluoro-3-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-2-[(E)-3-phenylprop-2-enyl]pyridazin-3-one Traditional Name: 2-[(E)-cinnamyl]-6-(4-fluoro-3-methyl-phenyl)-4-[(4-methylpiperazino)methyl]pyridazin-3-one Formula: C26H29FN4O MolecularWeight: 432.533063

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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=CC4=CC=CC=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C26H29FN4O/c1-20-17-22(10-11-24(20)27)25-18-23(19-30-15-13-29(2)14-16-30)26(32)31(28-25)12-6-9-21-7-4-3-5-8-21/h3-11,17-18H,12-16,19H2,1-2H3/b9-6+