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

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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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)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)OC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4/c1-14(2)13-23-20(26)15(3)29-22(28)19-17-11-7-8-12-18(17)21(27)25(24-19)16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3,(H,23,26)/t15-/m0/s1