4-oxidanylidene-N'-[(3S)-4,4,4-tris(fluoranyl)-3-methyl-3-oxidanyl-butanoyl]-3H-phthalazine-1-carbohydrazide

Systemtic Name: 4-oxidanylidene-N'-[(3S)-4,4,4-tris(fluoranyl)-3-methyl-3-oxidanyl-butanoyl]-3H-phthalazine-1-carbohydrazide Openeye Name: 4-oxo-N'-[(3S)-4,4,4-trifluoro-3-hydroxy-3-methyl-butanoyl]-3H-phthalazine-1-carbohydrazide CAS Name: 4-oxo-N'-[(3S)-4,4,4-trifluoro-3-hydroxy-3-methyl-1-oxobutyl]-3H-phthalazine-1-carbohydrazide IUPAC Name: 4-oxo-N'-[(3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]-3H-phthalazine-1-carbohydrazide Traditional Name: 4-keto-N'-[(3S)-4,4,4-trifluoro-3-hydroxy-3-methyl-butanoyl]-3H-phthalazine-1-carbohydrazide Formula: C14H13F3N4O4 MolecularWeight: 358.27263

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NNC(=O)C1=NNC(=O)C2=CC=CC=C21)(C(F)(F)F)O

Isomeric SMILES

C[C@](CC(=O)NNC(=O)C1=NNC(=O)C2=CC=CC=C21)(C(F)(F)F)O

InChI

InChI=1S/C14H13F3N4O4/c1-13(25,14(15,16)17)6-9(22)18-21-12(24)10-7-4-2-3-5-8(7)11(23)20-19-10/h2-5,25H,6H2,1H3,(H,18,22)(H,20,23)(H,21,24)/t13-/m0/s1