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

Systemtic Name: 6-(4-fluoranyl-3-methyl-phenyl)-4-(hydroxymethyl)-2-[(E)-3-phenylprop-2-enyl]pyridazin-3-one Openeye Name: 2-[(E)-cinnamyl]-6-(4-fluoro-3-methyl-phenyl)-4-(hydroxymethyl)pyridazin-3-one CAS Name: 6-(4-fluoro-3-methylphenyl)-4-(hydroxymethyl)-2-[(E)-3-phenylprop-2-enyl]-3-pyridazinone IUPAC Name: 6-(4-fluoro-3-methylphenyl)-4-(hydroxymethyl)-2-[(E)-3-phenylprop-2-enyl]pyridazin-3-one Traditional Name: 2-[(E)-cinnamyl]-6-(4-fluoro-3-methyl-phenyl)-4-methylol-pyridazin-3-one Formula: C21H19FN2O2 MolecularWeight: 350.386163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN(C(=O)C(=C2)CO)CC=CC3=CC=CC=C3)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN(C(=O)C(=C2)CO)C/C=C/C3=CC=CC=C3)F

InChI

InChI=1S/C21H19FN2O2/c1-15-12-17(9-10-19(15)22)20-13-18(14-25)21(26)24(23-20)11-5-8-16-6-3-2-4-7-16/h2-10,12-13,25H,11,14H2,1H3/b8-5+