2-propyl-6-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]carbonyl-pyridazin-3-one

Systemtic Name: 2-propyl-6-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]carbonyl-pyridazin-3-one Openeye Name: 2-propyl-6-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]pyridazin-3-one CAS Name: 6-[oxo-[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methyl]-2-propyl-3-pyridazinone IUPAC Name: 2-propyl-6-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]pyridazin-3-one Traditional Name: 2-propyl-6-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]pyridazin-3-one Formula: C19H21F3N4O4S MolecularWeight: 458.45465

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=CC(=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCCN1C(=O)C=CC(=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

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