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

Systemtic Name: [(2R)-1-[4-(2,2-dimethylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [(1R)-2-[4-(2,2-dimethylpropanoylamino)phenyl]-1-methyl-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [(2R)-1-[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[4-(2,2-dimethylpropanoylamino)phenyl]-1-oxopropan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [(1R)-2-keto-1-methyl-2-[4-(pivaloylamino)phenyl]ethyl] ester Formula: C23H23N3O5 MolecularWeight: 421.44582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O5/c1-13(19(27)14-9-11-15(12-10-14)24-22(30)23(2,3)4)31-21(29)18-16-7-5-6-8-17(16)20(28)26-25-18/h5-13H,1-4H3,(H,24,30)(H,26,28)/t13-/m1/s1