4-(7-fluoranyl-7-methyl-octoxy)-2-(3-fluorophenyl)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one

Systemtic Name: 4-(7-fluoranyl-7-methyl-octoxy)-2-(3-fluorophenyl)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one Openeye Name: 4-(7-fluoro-7-methyl-octoxy)-2-(3-fluorophenyl)-5-(4-isopropylsulfonylpiperazin-1-yl)pyridazin-3-one CAS Name: 4-(7-fluoro-7-methyloctoxy)-2-(3-fluorophenyl)-5-(4-propan-2-ylsulfonyl-1-piperazinyl)-3-pyridazinone IUPAC Name: 4-(7-fluoro-7-methyloctoxy)-2-(3-fluorophenyl)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one Traditional Name: 4-(7-fluoro-7-methyl-octoxy)-2-(3-fluorophenyl)-5-(4-isopropylsulfonylpiperazino)pyridazin-3-one Formula: C26H38F2N4O4S MolecularWeight: 540.666126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC(=CC=C3)F)OCCCCCCC(C)(C)F

Isomeric SMILES

CC(C)S(=O)(=O)N1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC(=CC=C3)F)OCCCCCCC(C)(C)F

InChI

InChI=1S/C26H38F2N4O4S/c1-20(2)37(34,35)31-15-13-30(14-16-31)23-19-29-32(22-11-9-10-21(27)18-22)25(33)24(23)36-17-8-6-5-7-12-26(3,4)28/h9-11,18-20H,5-8,12-17H2,1-4H3