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

Systemtic Name: 5-[2-ethyl-6-fluoranyl-3-[[1-(hydroxymethyl)-5-methyl-6-oxidanylidene-pyridazin-3-yl]methyl]phenoxy]benzene-1,3-dicarbonitrile Openeye Name: 5-[2-ethyl-6-fluoro-3-[[1-(hydroxymethyl)-5-methyl-6-oxo-pyridazin-3-yl]methyl]phenoxy]benzene-1,3-dicarbonitrile CAS Name: 5-[2-ethyl-6-fluoro-3-[[1-(hydroxymethyl)-5-methyl-6-oxo-3-pyridazinyl]methyl]phenoxy]benzene-1,3-dicarbonitrile IUPAC Name: 5-[2-ethyl-6-fluoro-3-[[1-(hydroxymethyl)-5-methyl-6-oxopyridazin-3-yl]methyl]phenoxy]benzene-1,3-dicarbonitrile Traditional Name: 5-[2-ethyl-6-fluoro-3-[(6-keto-5-methyl-1-methylol-pyridazin-3-yl)methyl]phenoxy]isophthalonitrile Formula: C23H19FN4O3 MolecularWeight: 418.420363

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1OC2=CC(=CC(=C2)C#N)C#N)F)CC3=NN(C(=O)C(=C3)C)CO

Isomeric SMILES

CCC1=C(C=CC(=C1OC2=CC(=CC(=C2)C#N)C#N)F)CC3=NN(C(=O)C(=C3)C)CO

InChI

InChI=1S/C23H19FN4O3/c1-3-20-17(10-18-6-14(2)23(30)28(13-29)27-18)4-5-21(24)22(20)31-19-8-15(11-25)7-16(9-19)12-26/h4-9,29H,3,10,13H2,1-2H3