N'-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-N-pentyl-ethanediamide

Systemtic Name: N'-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-N-pentyl-ethanediamide Openeye Name: N'-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-N-pentyl-oxamide CAS Name: N'-[2-(1,3-benzodioxol-5-yl)-2-(4-methyl-1-piperazinyl)ethyl]-N-pentyloxamide IUPAC Name: N'-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-N-pentyloxamide Traditional Name: N-amyl-N'-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazino)ethyl]oxamide Formula: C21H32N4O4 MolecularWeight: 404.50318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(=O)NCC(C1=CC2=C(C=C1)OCO2)N3CCN(CC3)C

Isomeric SMILES

CCCCCNC(=O)C(=O)NCC(C1=CC2=C(C=C1)OCO2)N3CCN(CC3)C

InChI

InChI=1S/C21H32N4O4/c1-3-4-5-8-22-20(26)21(27)23-14-17(25-11-9-24(2)10-12-25)16-6-7-18-19(13-16)29-15-28-18/h6-7,13,17H,3-5,8-12,14-15H2,1-2H3,(H,22,26)(H,23,27)