2-[5-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-2-oxidanidyl-pyrazol-2-ium-3-yl]benzenecarbonitrile

Systemtic Name: 2-[5-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-2-oxidanidyl-pyrazol-2-ium-3-yl]benzenecarbonitrile Openeye Name: 2-[5-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-2-oxido-pyrazol-2-ium-3-yl]benzonitrile CAS Name: 2-[5-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-2-oxido-3-pyrazol-2-iumyl]benzonitrile IUPAC Name: 2-[5-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-2-oxidopyrazol-2-ium-3-yl]benzonitrile Traditional Name: 2-[5-(2-fluorophenyl)-2-oxido-1-p-anisyl-pyrazol-2-ium-3-yl]benzonitrile Formula: C24H18FN3O2 MolecularWeight: 399.417023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=CC(=[N+]2[O-])C3=CC=CC=C3C#N)C4=CC=CC=C4F

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=CC(=[N+]2[O-])C3=CC=CC=C3C#N)C4=CC=CC=C4F

InChI

InChI=1S/C24H18FN3O2/c1-30-19-12-10-17(11-13-19)16-27-23(21-8-4-5-9-22(21)25)14-24(28(27)29)20-7-3-2-6-18(20)15-26/h2-14H,16H2,1H3