6-methyl-3-[(4-methylsulfonyl-1,4-diazepan-1-yl)carbonyl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one

Systemtic Name: 6-methyl-3-[(4-methylsulfonyl-1,4-diazepan-1-yl)carbonyl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one Openeye Name: 6-methyl-3-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one CAS Name: 6-methyl-3-[(4-methylsulfonyl-1,4-diazepan-1-yl)-oxomethyl]-1-[3-(trifluoromethyl)phenyl]-4-pyridazinone IUPAC Name: 6-methyl-3-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one Traditional Name: 3-(4-mesyl-1,4-diazepane-1-carbonyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one Formula: C19H21F3N4O4S MolecularWeight: 458.45465

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)N3CCCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)N3CCCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C19H21F3N4O4S/c1-13-11-16(27)17(18(28)24-7-4-8-25(10-9-24)31(2,29)30)23-26(13)15-6-3-5-14(12-15)19(20,21)22/h3,5-6,11-12H,4,7-10H2,1-2H3