[(2S)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl] 2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoate

Systemtic Name: [(2S)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl] 2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoate Openeye Name: [(1S)-1-[(4-fluorophenyl)carbamoyl]propyl] 2-(4-carbamoyl-1-oxo-phthalazin-2-yl)acetate CAS Name: 2-(4-carbamoyl-1-oxo-2-phthalazinyl)acetic acid [(2S)-1-(4-fluoroanilino)-1-oxobutan-2-yl] ester IUPAC Name: [(2S)-1-(4-fluoroanilino)-1-oxobutan-2-yl] 2-(4-carbamoyl-1-oxophthalazin-2-yl)acetate Traditional Name: 2-(4-carbamoyl-1-keto-phthalazin-2-yl)acetic acid [(1S)-1-[(4-fluorophenyl)carbamoyl]propyl] ester Formula: C21H19FN4O5 MolecularWeight: 426.397763

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)F)OC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N

Isomeric SMILES

CC[C@@H](C(=O)NC1=CC=C(C=C1)F)OC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N

InChI

InChI=1S/C21H19FN4O5/c1-2-16(20(29)24-13-9-7-12(22)8-10-13)31-17(27)11-26-21(30)15-6-4-3-5-14(15)18(25-26)19(23)28/h3-10,16H,2,11H2,1H3,(H2,23,28)(H,24,29)/t16-/m0/s1