3-[[3-fluoranyl-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-1,5-diphenyl-pyrazole

Systemtic Name: 3-[[3-fluoranyl-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-1,5-diphenyl-pyrazole Openeye Name: 3-[[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenoxy]methyl]-1,5-diphenyl-pyrazole CAS Name: 3-[[3-fluoro-5-(4-methoxy-4-oxanyl)phenoxy]methyl]-1,5-diphenylpyrazole IUPAC Name: 3-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-1,5-diphenylpyrazole Traditional Name: 3-[[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenoxy]methyl]-1,5-diphenyl-pyrazole Formula: C28H27FN2O3 MolecularWeight: 458.523983

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CCOCC1)C2=CC(=CC(=C2)F)OCC3=NN(C(=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1(CCOCC1)C2=CC(=CC(=C2)F)OCC3=NN(C(=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H27FN2O3/c1-32-28(12-14-33-15-13-28)22-16-23(29)18-26(17-22)34-20-24-19-27(21-8-4-2-5-9-21)31(30-24)25-10-6-3-7-11-25/h2-11,16-19H,12-15,20H2,1H3