[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)COC(=O)C1=NN(C(=O)C2=CC=CC=C21)C

Isomeric SMILES

CC(C)NC(=O)NC(=O)COC(=O)C1=NN(C(=O)C2=CC=CC=C21)C

InChI

InChI=1S/C16H18N4O5/c1-9(2)17-16(24)18-12(21)8-25-15(23)13-10-6-4-5-7-11(10)14(22)20(3)19-13/h4-7,9H,8H2,1-3H3,(H2,17,18,21,24)