[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (1-allophanoyl-2-methyl-propyl) 3-ethyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-ethyl-4-oxo-1-phthalazinecarboxylic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-ethyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-ethyl-4-keto-phthalazine-1-carboxylic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C17H20N4O5 MolecularWeight: 360.3645

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C(C)C)C(=O)NC(=O)N

InChI

InChI=1S/C17H20N4O5/c1-4-21-15(23)11-8-6-5-7-10(11)12(20-21)16(24)26-13(9(2)3)14(22)19-17(18)25/h5-9,13H,4H2,1-3H3,(H3,18,19,22,25)