1-[3,4-bis(fluoranyl)phenyl]-6-butoxy-6-methyl-2-(4-methylsulfonylphenyl)-5-oxidanyl-1,2-diazinan-4-one

Systemtic Name: 1-[3,4-bis(fluoranyl)phenyl]-6-butoxy-6-methyl-2-(4-methylsulfonylphenyl)-5-oxidanyl-1,2-diazinan-4-one Openeye Name: 6-butoxy-1-(3,4-difluorophenyl)-5-hydroxy-6-methyl-2-(4-methylsulfonylphenyl)hexahydropyridazin-4-one CAS Name: 6-butoxy-1-(3,4-difluorophenyl)-5-hydroxy-6-methyl-2-(4-methylsulfonylphenyl)-4-diazinanone IUPAC Name: 6-butoxy-1-(3,4-difluorophenyl)-5-hydroxy-6-methyl-2-(4-methylsulfonylphenyl)diazinan-4-one Traditional Name: 6-butoxy-1-(3,4-difluorophenyl)-5-hydroxy-2-(4-mesylphenyl)-6-methyl-hexahydropyridazin-4-one Formula: C22H26F2N2O5S MolecularWeight: 468.514046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1(C(C(=O)CN(N1C2=CC(=C(C=C2)F)F)C3=CC=C(C=C3)S(=O)(=O)C)O)C

Isomeric SMILES

CCCCOC1(C(C(=O)CN(N1C2=CC(=C(C=C2)F)F)C3=CC=C(C=C3)S(=O)(=O)C)O)C

InChI

InChI=1S/C22H26F2N2O5S/c1-4-5-12-31-22(2)21(28)20(27)14-25(15-6-9-17(10-7-15)32(3,29)30)26(22)16-8-11-18(23)19(24)13-16/h6-11,13,21,28H,4-5,12,14H2,1-3H3