3-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one

Systemtic Name: 3-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one Openeye Name: 3-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one CAS Name: 3-[4-(4-methyl-1-piperazinyl)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one Traditional Name: 3-[4-(4-methylpiperazino)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one Formula: C16H17F3N4O MolecularWeight: 338.32759

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C3=NNC(=O)C=C3)C(F)(F)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C3=NNC(=O)C=C3)C(F)(F)F

InChI

InChI=1S/C16H17F3N4O/c1-22-6-8-23(9-7-22)14-4-2-11(10-12(14)16(17,18)19)13-3-5-15(24)21-20-13/h2-5,10H,6-9H2,1H3,(H,21,24)