2-(4-chlorophenyl)-6-[4-(5-fluoranyl-2-methyl-phenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one

Systemtic Name: 2-(4-chlorophenyl)-6-[4-(5-fluoranyl-2-methyl-phenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one Openeye Name: 2-(4-chlorophenyl)-6-[4-(5-fluoro-2-methyl-phenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one CAS Name: 2-(4-chlorophenyl)-6-[4-(5-fluoro-2-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-pyridazinone IUPAC Name: 2-(4-chlorophenyl)-6-[4-(5-fluoro-2-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one Traditional Name: 2-(4-chlorophenyl)-6-[4-(5-fluoro-2-methyl-phenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one Formula: C22H22ClFN4O3S MolecularWeight: 476.951483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClFN4O3S/c1-16-3-6-18(24)15-20(16)32(30,31)27-12-2-11-26(13-14-27)21-9-10-22(29)28(25-21)19-7-4-17(23)5-8-19/h3-10,15H,2,11-14H2,1H3