[(2R)-1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [(2R)-1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [(1R)-2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid [(1R)-2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NC(=O)NCC

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O[C@H](C)C(=O)NC(=O)NCC

InChI

InChI=1S/C21H28N4O5/c1-4-6-7-10-13-25-19(27)16-12-9-8-11-15(16)17(24-25)20(28)30-14(3)18(26)23-21(29)22-5-2/h8-9,11-12,14H,4-7,10,13H2,1-3H3,(H2,22,23,26,29)/t14-/m1/s1