2-[[6-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-3-oxidanylidene-pyridazin-4-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[6-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-3-oxidanylidene-pyridazin-4-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[6-(4-fluoro-3-methyl-phenyl)-2-isobutyl-3-oxo-pyridazin-4-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[6-(4-fluoro-3-methylphenyl)-2-(2-methylpropyl)-3-oxo-4-pyridazinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[6-(4-fluoro-3-methylphenyl)-2-(2-methylpropyl)-3-oxopyridazin-4-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[6-(4-fluoro-3-methyl-phenyl)-2-isobutyl-3-keto-pyridazin-4-yl]methyl]isoindoline-1,3-quinone Formula: C24H22FN3O3 MolecularWeight: 419.448183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN(C(=O)C(=C2)CN3C(=O)C4=CC=CC=C4C3=O)CC(C)C)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN(C(=O)C(=C2)CN3C(=O)C4=CC=CC=C4C3=O)CC(C)C)F

InChI

InChI=1S/C24H22FN3O3/c1-14(2)12-28-22(29)17(11-21(26-28)16-8-9-20(25)15(3)10-16)13-27-23(30)18-6-4-5-7-19(18)24(27)31/h4-11,14H,12-13H2,1-3H3