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

Systemtic Name: 2-(4-fluorophenyl)-6-[4-(3-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one Openeye Name: 2-(4-fluorophenyl)-6-[4-(m-tolylsulfonyl)-1,4-diazepan-1-yl]pyridazin-3-one CAS Name: 2-(4-fluorophenyl)-6-[4-(3-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-pyridazinone IUPAC Name: 2-(4-fluorophenyl)-6-[4-(3-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one Traditional Name: 2-(4-fluorophenyl)-6-[4-(m-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=C1)S(=O)(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)F

InChI

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