5-methyl-4-(4-methylpiperazin-1-yl)-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]pyridazin-3-one

Systemtic Name: 5-methyl-4-(4-methylpiperazin-1-yl)-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]pyridazin-3-one Openeye Name: 2-isobutyl-5-methyl-4-(4-methylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyridazin-3-one CAS Name: 5-methyl-4-(4-methyl-1-piperazinyl)-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridazinone IUPAC Name: 5-methyl-4-(4-methylpiperazin-1-yl)-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]pyridazin-3-one Traditional Name: 2-isobutyl-5-methyl-4-(4-methylpiperazino)-6-[4-(trifluoromethyl)phenyl]pyridazin-3-one Formula: C21H27F3N4O MolecularWeight: 408.46049

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C2=CC=C(C=C2)C(F)(F)F)CC(C)C)N3CCN(CC3)C

Isomeric SMILES

CC1=C(C(=O)N(N=C1C2=CC=C(C=C2)C(F)(F)F)CC(C)C)N3CCN(CC3)C

InChI

InChI=1S/C21H27F3N4O/c1-14(2)13-28-20(29)19(27-11-9-26(4)10-12-27)15(3)18(25-28)16-5-7-17(8-6-16)21(22,23)24/h5-8,14H,9-13H2,1-4H3