[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-3H-benzimidazole-5-carboxylic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C23H18N4O5 MolecularWeight: 430.41282

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CN=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CN=CC=C5

InChI

InChI=1S/C23H18N4O5/c28-21(25-10-14-3-6-19-20(8-14)32-13-31-19)12-30-23(29)15-4-5-17-18(9-15)27-22(26-17)16-2-1-7-24-11-16/h1-9,11H,10,12-13H2,(H,25,28)(H,26,27)