[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)COC(=O)C1=NNC(=O)C2=CC=CC=C21

Isomeric SMILES

CC(C)CNC(=O)NC(=O)COC(=O)C1=NNC(=O)C2=CC=CC=C21

InChI

InChI=1S/C16H18N4O5/c1-9(2)7-17-16(24)18-12(21)8-25-15(23)13-10-5-3-4-6-11(10)14(22)20-19-13/h3-6,9H,7-8H2,1-2H3,(H,20,22)(H2,17,18,21,24)