3-[[3-fluoranyl-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-1-(4-methylphenyl)-5-phenyl-pyrazole

Systemtic Name: 3-[[3-fluoranyl-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-1-(4-methylphenyl)-5-phenyl-pyrazole Openeye Name: 3-[[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenoxy]methyl]-5-phenyl-1-(p-tolyl)pyrazole CAS Name: 3-[[3-fluoro-5-(4-methoxy-4-oxanyl)phenoxy]methyl]-1-(4-methylphenyl)-5-phenylpyrazole IUPAC Name: 3-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-1-(4-methylphenyl)-5-phenylpyrazole Traditional Name: 3-[[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenoxy]methyl]-5-phenyl-1-(p-tolyl)pyrazole Formula: C29H29FN2O3 MolecularWeight: 472.550563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)COC3=CC(=CC(=C3)C4(CCOCC4)OC)F)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)COC3=CC(=CC(=C3)C4(CCOCC4)OC)F)C5=CC=CC=C5

InChI

InChI=1S/C29H29FN2O3/c1-21-8-10-26(11-9-21)32-28(22-6-4-3-5-7-22)19-25(31-32)20-35-27-17-23(16-24(30)18-27)29(33-2)12-14-34-15-13-29/h3-11,16-19H,12-15,20H2,1-2H3