[2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-[1-[(1R)-2-methoxy-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-keto-2-[1-[(1R)-2-methoxy-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)COC)C)C(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC1=CC(=C(N1[C@H](C)COC)C)C(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H23N3O5/c1-12-9-17(14(3)24(12)13(2)10-28-4)18(25)11-29-21(27)19-15-7-5-6-8-16(15)20(26)23-22-19/h5-9,13H,10-11H2,1-4H3,(H,23,26)/t13-/m1/s1