5-[[1-(4-fluoranyl-2-oxidanyl-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pent-4-enyl]amino]-2-methyl-phthalazin-1-one

Systemtic Name: 5-[[1-(4-fluoranyl-2-oxidanyl-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pent-4-enyl]amino]-2-methyl-phthalazin-1-one Openeye Name: 5-[[1-(4-fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pent-4-enyl]amino]-2-methyl-phthalazin-1-one CAS Name: 5-[[1-(4-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pent-4-enyl]amino]-2-methyl-1-phthalazinone IUPAC Name: 5-[[1-(4-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pent-4-enyl]amino]-2-methylphthalazin-1-one Traditional Name: 5-[[1-(4-fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pent-4-enyl]amino]-2-methyl-phthalazin-1-one Formula: C22H21F4N3O3 MolecularWeight: 451.414053

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC(C(C1=C(C=C(C=C1)F)O)NC2=CC=CC3=C2C=NN(C3=O)C)(C(F)(F)F)O

Isomeric SMILES

CC(=C)CC(C(C1=C(C=C(C=C1)F)O)NC2=CC=CC3=C2C=NN(C3=O)C)(C(F)(F)F)O

InChI

InChI=1S/C22H21F4N3O3/c1-12(2)10-21(32,22(24,25)26)19(15-8-7-13(23)9-18(15)30)28-17-6-4-5-14-16(17)11-27-29(3)20(14)31/h4-9,11,19,28,30,32H,1,10H2,2-3H3