[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C26H29N3O6 MolecularWeight: 479.52496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H29N3O6/c1-3-4-5-8-13-29-25(31)20-10-7-6-9-19(20)23(28-29)26(32)35-17(2)24(30)27-15-18-11-12-21-22(14-18)34-16-33-21/h6-7,9-12,14,17H,3-5,8,13,15-16H2,1-2H3,(H,27,30)