3-[2-ethyl-5-[(5-methyl-6-oxidanylidene-1H-pyridazin-3-yl)methyl]phenoxy]-5-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[2-ethyl-5-[(5-methyl-6-oxidanylidene-1H-pyridazin-3-yl)methyl]phenoxy]-5-fluoranyl-benzenecarbonitrile Openeye Name: 3-[2-ethyl-5-[(5-methyl-6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-5-fluoro-benzonitrile CAS Name: 3-[2-ethyl-5-[(5-methyl-6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-5-fluorobenzonitrile IUPAC Name: 3-[2-ethyl-5-[(5-methyl-6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-5-fluorobenzonitrile Traditional Name: 3-[2-ethyl-5-[(6-keto-5-methyl-1H-pyridazin-3-yl)methyl]phenoxy]-5-fluoro-benzonitrile Formula: C21H18FN3O2 MolecularWeight: 363.384923

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)CC2=NNC(=O)C(=C2)C)OC3=CC(=CC(=C3)C#N)F

Isomeric SMILES

CCC1=C(C=C(C=C1)CC2=NNC(=O)C(=C2)C)OC3=CC(=CC(=C3)C#N)F

InChI

InChI=1S/C21H18FN3O2/c1-3-16-5-4-14(8-18-6-13(2)21(26)25-24-18)10-20(16)27-19-9-15(12-23)7-17(22)11-19/h4-7,9-11H,3,8H2,1-2H3,(H,25,26)