6-(4-fluorophenyl)-2-[[1-(phenylmethyl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one

Systemtic Name: 6-(4-fluorophenyl)-2-[[1-(phenylmethyl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one Openeye Name: 2-[(1-benzylsulfonyl-4-piperidyl)methyl]-6-(4-fluorophenyl)pyridazin-3-one CAS Name: 6-(4-fluorophenyl)-2-[[1-(phenylmethyl)sulfonyl-4-piperidinyl]methyl]-3-pyridazinone IUPAC Name: 2-[(1-benzylsulfonylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one Traditional Name: 2-[(1-benzylsulfonyl-4-piperidyl)methyl]-6-(4-fluorophenyl)pyridazin-3-one Formula: C23H24FN3O3S MolecularWeight: 441.518363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)F)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)F)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H24FN3O3S/c24-21-8-6-20(7-9-21)22-10-11-23(28)27(25-22)16-18-12-14-26(15-13-18)31(29,30)17-19-4-2-1-3-5-19/h1-11,18H,12-17H2