[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC(=O)C1=NN(C(=O)C2=CC=CC=C21)C

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)OC(=O)C1=NN(C(=O)C2=CC=CC=C21)C

InChI

InChI=1S/C17H21N3O4/c1-10(2)9-18-15(21)11(3)24-17(23)14-12-7-5-6-8-13(12)16(22)20(4)19-14/h5-8,10-11H,9H2,1-4H3,(H,18,21)/t11-/m0/s1