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

Systemtic Name: 6-(4-fluoranyl-3-methyl-phenyl)-2-[(E)-3-phenylprop-2-enyl]-4-(piperazin-1-ylmethyl)pyridazin-3-one Openeye Name: 2-[(E)-cinnamyl]-6-(4-fluoro-3-methyl-phenyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one CAS Name: 6-(4-fluoro-3-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]-4-(1-piperazinylmethyl)-3-pyridazinone IUPAC Name: 6-(4-fluoro-3-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]-4-(piperazin-1-ylmethyl)pyridazin-3-one Traditional Name: 2-[(E)-cinnamyl]-6-(4-fluoro-3-methyl-phenyl)-4-(piperazinomethyl)pyridazin-3-one Formula: C25H27FN4O MolecularWeight: 418.506483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN(C(=O)C(=C2)CN3CCNCC3)CC=CC4=CC=CC=C4)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN(C(=O)C(=C2)CN3CCNCC3)C/C=C/C4=CC=CC=C4)F

InChI

InChI=1S/C25H27FN4O/c1-19-16-21(9-10-23(19)26)24-17-22(18-29-14-11-27-12-15-29)25(31)30(28-24)13-5-8-20-6-3-2-4-7-20/h2-10,16-17,27H,11-15,18H2,1H3/b8-5+