6-methyl-3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)carbonyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one

Systemtic Name: 6-methyl-3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)carbonyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one Openeye Name: 6-methyl-3-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one CAS Name: 6-methyl-3-[oxo-[4-(1-pyrrolidinylsulfonyl)-1-piperazinyl]methyl]-1-[3-(trifluoromethyl)phenyl]-4-pyridazinone IUPAC Name: 6-methyl-3-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one Traditional Name: 6-methyl-3-(4-pyrrolidinosulfonylpiperazine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one Formula: C21H24F3N5O4S MolecularWeight: 499.50657

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H24F3N5O4S/c1-15-13-18(30)19(25-29(15)17-6-4-5-16(14-17)21(22,23)24)20(31)26-9-11-28(12-10-26)34(32,33)27-7-2-3-8-27/h4-6,13-14H,2-3,7-12H2,1H3