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

Systemtic Name: [(2S)-1-oxidanylidene-1-[(2-propan-2-ylphenyl)amino]propan-2-yl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [(1S)-2-(2-isopropylanilino)-1-methyl-2-oxo-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [(1S)-2-(2-isopropylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C(C)C)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C22H23N3O4/c1-13(2)15-9-7-8-12-18(15)23-20(26)14(3)29-22(28)19-16-10-5-6-11-17(16)21(27)25(4)24-19/h5-14H,1-4H3,(H,23,26)/t14-/m0/s1