[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4/c1-5-17(2,3)18-13(21)10-24-16(23)14-11-8-6-7-9-12(11)15(22)20(4)19-14/h6-9H,5,10H2,1-4H3,(H,18,21)