[1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-(4-ethoxycarbonyl-1-piperidyl)-1-methyl-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [1-(4-ethoxycarbonyl-1-piperidinyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-(4-carbethoxypiperidino)-2-keto-1-methyl-ethyl] ester Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)OC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)OC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C20H23N3O6/c1-3-28-19(26)13-8-10-23(11-9-13)18(25)12(2)29-20(27)16-14-6-4-5-7-15(14)17(24)22-21-16/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,24)