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

Systemtic Name: [(2S)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [(1S)-2-[2-cyanoethyl(methyl)amino]-1-methyl-2-oxo-ethyl] 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxylic acid [(2S)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylic acid [(1S)-2-[2-cyanoethyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)N(C)CCC#N)OC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC(C)C

InChI

InChI=1S/C20H24N4O4/c1-13(2)12-24-19(26)16-9-6-5-8-15(16)17(22-24)20(27)28-14(3)18(25)23(4)11-7-10-21/h5-6,8-9,13-14H,7,11-12H2,1-4H3/t14-/m0/s1