4-[3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-ethyl-amino]propanoylamino]benzamide

Systemtic Name: 4-[3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-ethyl-amino]propanoylamino]benzamide Openeye Name: 4-[3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-ethyl-amino]propanoylamino]benzamide CAS Name: 4-[[3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-ethylamino]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide Traditional Name: 4-[3-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-ethyl-amino]propanoylamino]benzamide Formula: C21H24N4O5 MolecularWeight: 412.43906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)NC1=CC=C(C=C1)C(=O)N)CC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCN(CCC(=O)NC1=CC=C(C=C1)C(=O)N)CC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H24N4O5/c1-2-25(10-9-19(26)23-15-5-3-14(4-6-15)21(22)28)12-20(27)24-16-7-8-17-18(11-16)30-13-29-17/h3-8,11H,2,9-10,12-13H2,1H3,(H2,22,28)(H,23,26)(H,24,27)