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

Systemtic Name: [1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(4-ethoxycarbonyl-1-piperidyl)-1-methyl-2-oxo-ethyl] 3-ethyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-ethyl-4-oxo-1-phthalazinecarboxylic acid [1-(4-ethoxycarbonyl-1-piperidinyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 3-ethyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-ethyl-4-keto-phthalazine-1-carboxylic acid [2-(4-carbethoxypiperidino)-2-keto-1-methyl-ethyl] ester Formula: C22H27N3O6 MolecularWeight: 429.46628

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)N3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)N3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C22H27N3O6/c1-4-25-20(27)17-9-7-6-8-16(17)18(23-25)22(29)31-14(3)19(26)24-12-10-15(11-13-24)21(28)30-5-2/h6-9,14-15H,4-5,10-13H2,1-3H3