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

Systemtic Name: [2-[1-(furan-2-yl)ethylamino]-2-oxidanylidene-ethyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-[1-(2-furyl)ethylamino]-2-oxo-ethyl] 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid [2-[1-(2-furanyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid [2-[1-(2-furyl)ethylamino]-2-keto-ethyl] ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC(C)C3=CC=CO3

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC(C)C3=CC=CO3

InChI

InChI=1S/C23H27N3O5/c1-3-4-5-8-13-26-22(28)18-11-7-6-10-17(18)21(25-26)23(29)31-15-20(27)24-16(2)19-12-9-14-30-19/h6-7,9-12,14,16H,3-5,8,13,15H2,1-2H3,(H,24,27)