[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoate

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 2-(3-methyl-4-oxo-phthalazin-1-yl)acetate CAS Name: 2-(3-methyl-4-oxo-1-phthalazinyl)acetic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3-methyl-phthalazin-1-yl)acetic acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC(=O)CC1=NN(C(=O)C2=CC=CC=C21)C

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)OC(=O)CC1=NN(C(=O)C2=CC=CC=C21)C

InChI

InChI=1S/C18H23N3O4/c1-11(2)10-19-17(23)12(3)25-16(22)9-15-13-7-5-6-8-14(13)18(24)21(4)20-15/h5-8,11-12H,9-10H2,1-4H3,(H,19,23)/t12-/m0/s1