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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)CCC(=O)NC4=CC=CC=N4

Isomeric SMILES

CC1=CC(=CC=C1)N(CC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)CCC(=O)NC4=CC=CC=N4

InChI

InChI=1S/C26H26N4O5/c1-18-5-4-6-20(13-18)30(26(33)11-10-24(31)29-23-7-2-3-12-27-23)16-25(32)28-15-19-8-9-21-22(14-19)35-17-34-21/h2-9,12-14H,10-11,15-17H2,1H3,(H,28,32)(H,27,29,31)