[(2R)-1-oxidanylidene-1-(propylamino)propan-2-yl] 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-(propylamino)propan-2-yl] 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(propylamino)ethyl] 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid [(2R)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(propylamino)propan-2-yl] 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid [(1R)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-3-13-22-19(25)14(2)28-21(27)18-16-11-7-8-12-17(16)20(26)24(23-18)15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H,22,25)/t14-/m1/s1