2-(4-fluorophenyl)-6-[4-(2-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one

Systemtic Name: 2-(4-fluorophenyl)-6-[4-(2-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one Openeye Name: 2-(4-fluorophenyl)-6-[4-(o-tolylsulfonyl)-1,4-diazepan-1-yl]pyridazin-3-one CAS Name: 2-(4-fluorophenyl)-6-[4-(2-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-pyridazinone IUPAC Name: 2-(4-fluorophenyl)-6-[4-(2-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one Traditional Name: 2-(4-fluorophenyl)-6-[4-(o-tolylsulfonyl)-1,4-diazepan-1-yl]pyridazin-3-one Formula: C22H23FN4O3S MolecularWeight: 442.506423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN4O3S/c1-17-5-2-3-6-20(17)31(29,30)26-14-4-13-25(15-16-26)21-11-12-22(28)27(24-21)19-9-7-18(23)8-10-19/h2-3,5-12H,4,13-16H2,1H3