[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl] 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid [2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid [2-(2-furfurylcarbamoylamino)-2-keto-ethyl] ester Formula: C23H26N4O6 MolecularWeight: 454.47574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC(=O)NCC3=CC=CO3

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC(=O)NCC3=CC=CO3

InChI

InChI=1S/C23H26N4O6/c1-2-3-4-7-12-27-21(29)18-11-6-5-10-17(18)20(26-27)22(30)33-15-19(28)25-23(31)24-14-16-9-8-13-32-16/h5-6,8-11,13H,2-4,7,12,14-15H2,1H3,(H2,24,25,28,31)