[(2R)-3-methyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [(2R)-3-methyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [(1R)-2-methyl-1-(phenylcarbamoyl)propyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [(2R)-1-anilino-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-anilino-3-methyl-1-oxobutan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [(1R)-2-methyl-1-(phenylcarbamoyl)propyl] ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=CC=C1)OC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)[C@H](C(=O)NC1=CC=CC=C1)OC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C20H19N3O4/c1-12(2)17(19(25)21-13-8-4-3-5-9-13)27-20(26)16-14-10-6-7-11-15(14)18(24)23-22-16/h3-12,17H,1-2H3,(H,21,25)(H,23,24)/t17-/m1/s1