[(2S)-1-[di(propan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoate

Systemtic Name: [(2S)-1-[di(propan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoate Openeye Name: [(1S)-2-(diisopropylamino)-1-methyl-2-oxo-ethyl] 2-(4-carbamoyl-1-oxo-phthalazin-2-yl)acetate CAS Name: 2-(4-carbamoyl-1-oxo-2-phthalazinyl)acetic acid [(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-(4-carbamoyl-1-oxophthalazin-2-yl)acetate Traditional Name: 2-(4-carbamoyl-1-keto-phthalazin-2-yl)acetic acid [(1S)-2-(diisopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H26N4O5 MolecularWeight: 402.44424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)C(C)OC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N

Isomeric SMILES

C[C@@H](C(=O)N(C(C)C)C(C)C)OC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N

InChI

InChI=1S/C20H26N4O5/c1-11(2)24(12(3)4)19(27)13(5)29-16(25)10-23-20(28)15-9-7-6-8-14(15)17(22-23)18(21)26/h6-9,11-13H,10H2,1-5H3,(H2,21,26)/t13-/m0/s1