[1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: [1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: [2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid [1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid [2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H26N4O5 MolecularWeight: 450.48704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)OC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC(=O)NC(C)(C)C)OC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3

InChI

InChI=1S/C24H26N4O5/c1-15(20(29)25-23(32)26-24(2,3)4)33-22(31)19-17-12-8-9-13-18(17)21(30)28(27-19)14-16-10-6-5-7-11-16/h5-13,15H,14H2,1-4H3,(H2,25,26,29,32)