5-[6-fluoranyl-3-[[1-(hydroxymethyl)-5-methyl-6-oxidanylidene-pyridazin-3-yl]methyl]-2-methyl-phenoxy]benzene-1,3-dicarbonitrile

Systemtic Name: 5-[6-fluoranyl-3-[[1-(hydroxymethyl)-5-methyl-6-oxidanylidene-pyridazin-3-yl]methyl]-2-methyl-phenoxy]benzene-1,3-dicarbonitrile Openeye Name: 5-[6-fluoro-3-[[1-(hydroxymethyl)-5-methyl-6-oxo-pyridazin-3-yl]methyl]-2-methyl-phenoxy]benzene-1,3-dicarbonitrile CAS Name: 5-[6-fluoro-3-[[1-(hydroxymethyl)-5-methyl-6-oxo-3-pyridazinyl]methyl]-2-methylphenoxy]benzene-1,3-dicarbonitrile IUPAC Name: 5-[6-fluoro-3-[[1-(hydroxymethyl)-5-methyl-6-oxopyridazin-3-yl]methyl]-2-methylphenoxy]benzene-1,3-dicarbonitrile Traditional Name: 5-[6-fluoro-3-[(6-keto-5-methyl-1-methylol-pyridazin-3-yl)methyl]-2-methyl-phenoxy]isophthalonitrile Formula: C22H17FN4O3 MolecularWeight: 404.393783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN(C1=O)CO)CC2=C(C(=C(C=C2)F)OC3=CC(=CC(=C3)C#N)C#N)C

Isomeric SMILES

CC1=CC(=NN(C1=O)CO)CC2=C(C(=C(C=C2)F)OC3=CC(=CC(=C3)C#N)C#N)C

InChI

InChI=1S/C22H17FN4O3/c1-13-5-18(26-27(12-28)22(13)29)9-17-3-4-20(23)21(14(17)2)30-19-7-15(10-24)6-16(8-19)11-25/h3-8,28H,9,12H2,1-2H3