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

Systemtic Name: 3-[6-chloranyl-2-fluoranyl-3-[(6-oxidanylidene-1H-pyridazin-3-yl)methyl]phenoxy]-5-ethyl-benzenecarbonitrile Openeye Name: 3-[6-chloro-2-fluoro-3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-5-ethyl-benzonitrile CAS Name: 3-[6-chloro-2-fluoro-3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-5-ethylbenzonitrile IUPAC Name: 3-[6-chloro-2-fluoro-3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-5-ethylbenzonitrile Traditional Name: 3-[6-chloro-2-fluoro-3-[(6-keto-1H-pyridazin-3-yl)methyl]phenoxy]-5-ethyl-benzonitrile Formula: C20H15ClFN3O2 MolecularWeight: 383.803403

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)C#N)OC2=C(C=CC(=C2F)CC3=NNC(=O)C=C3)Cl

Isomeric SMILES

CCC1=CC(=CC(=C1)C#N)OC2=C(C=CC(=C2F)CC3=NNC(=O)C=C3)Cl

InChI

InChI=1S/C20H15ClFN3O2/c1-2-12-7-13(11-23)9-16(8-12)27-20-17(21)5-3-14(19(20)22)10-15-4-6-18(26)25-24-15/h3-9H,2,10H2,1H3,(H,25,26)