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

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: (1-allophanoyl-2-methyl-propyl) 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C(C)C)C(=O)NC(=O)N

InChI

InChI=1S/C18H22N4O5/c1-4-9-22-16(24)12-8-6-5-7-11(12)13(21-22)17(25)27-14(10(2)3)15(23)20-18(19)26/h5-8,10,14H,4,9H2,1-3H3,(H3,19,20,23,26)