[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3

InChI

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