N-[2-(1,3-benzodioxol-5-ylmethylamino)pyridin-3-yl]-4-phenoxy-benzamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)pyridin-3-yl]-4-phenoxy-benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-3-pyridyl]-4-phenoxy-benzamide CAS Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-3-pyridinyl]-4-phenoxybenzamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)pyridin-3-yl]-4-phenoxybenzamide Traditional Name: 4-phenoxy-N-[2-(piperonylamino)-3-pyridyl]benzamide Formula: C26H21N3O4 MolecularWeight: 439.46264

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C=CC=N3)NC(=O)C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C=CC=N3)NC(=O)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C26H21N3O4/c30-26(19-9-11-21(12-10-19)33-20-5-2-1-3-6-20)29-22-7-4-14-27-25(22)28-16-18-8-13-23-24(15-18)32-17-31-23/h1-15H,16-17H2,(H,27,28)(H,29,30)