N'-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-N'-(phenylmethyl)-N-pyridin-2-yl-butanediamide

Systemtic Name: N'-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-N'-(phenylmethyl)-N-pyridin-2-yl-butanediamide Openeye Name: N'-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-N'-benzyl-N-(2-pyridyl)butanediamide CAS Name: N'-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N'-(phenylmethyl)-N-(2-pyridinyl)butanediamide IUPAC Name: N'-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N'-benzyl-N-pyridin-2-ylbutanediamide Traditional Name: N'-benzyl-N'-[2-keto-2-(piperonylamino)ethyl]-N-(2-pyridyl)succinamide Formula: C26H26N4O5 MolecularWeight: 474.50844

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CN(CC3=CC=CC=C3)C(=O)CCC(=O)NC4=CC=CC=N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CN(CC3=CC=CC=C3)C(=O)CCC(=O)NC4=CC=CC=N4

InChI

InChI=1S/C26H26N4O5/c31-24(29-23-8-4-5-13-27-23)11-12-26(33)30(16-19-6-2-1-3-7-19)17-25(32)28-15-20-9-10-21-22(14-20)35-18-34-21/h1-10,13-14H,11-12,15-18H2,(H,28,32)(H,27,29,31)