5-[[4-(3-methoxyphenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentylidene]amino]-2-methyl-phthalazin-1-one

Systemtic Name: 5-[[4-(3-methoxyphenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentylidene]amino]-2-methyl-phthalazin-1-one Openeye Name: 5-[[2-hydroxy-4-(3-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentylidene]amino]-2-methyl-phthalazin-1-one CAS Name: 5-[[2-hydroxy-4-(3-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentylidene]amino]-2-methyl-1-phthalazinone IUPAC Name: 5-[[2-hydroxy-4-(3-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentylidene]amino]-2-methylphthalazin-1-one Traditional Name: 5-[[2-hydroxy-4-(3-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentylidene]amino]-2-methyl-phthalazin-1-one Formula: C23H24F3N3O3 MolecularWeight: 447.45017

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C=NC1=CC=CC2=C1C=NN(C2=O)C)(C(F)(F)F)O)C3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)(CC(C=NC1=CC=CC2=C1C=NN(C2=O)C)(C(F)(F)F)O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C23H24F3N3O3/c1-21(2,15-7-5-8-16(11-15)32-4)13-22(31,23(24,25)26)14-27-19-10-6-9-17-18(19)12-28-29(3)20(17)30/h5-12,14,31H,13H2,1-4H3