6-(4-ethoxyphenyl)-2-[2-[4-(4-fluoranyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one

Systemtic Name: 6-(4-ethoxyphenyl)-2-[2-[4-(4-fluoranyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one Openeye Name: 6-(4-ethoxyphenyl)-2-[2-[4-(4-fluoro-3-methyl-phenyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one CAS Name: 6-(4-ethoxyphenyl)-2-[2-[4-(4-fluoro-3-methylphenyl)sulfonyl-1-piperazinyl]ethyl]-3-pyridazinone IUPAC Name: 6-(4-ethoxyphenyl)-2-[2-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one Traditional Name: 2-[2-[4-(4-fluoro-3-methyl-phenyl)sulfonylpiperazino]ethyl]-6-p-phenetyl-pyridazin-3-one Formula: C25H29FN4O4S MolecularWeight: 500.585563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCN3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)F)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCN3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)F)C

InChI

InChI=1S/C25H29FN4O4S/c1-3-34-21-6-4-20(5-7-21)24-10-11-25(31)30(27-24)17-14-28-12-15-29(16-13-28)35(32,33)22-8-9-23(26)19(2)18-22/h4-11,18H,3,12-17H2,1-2H3