N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-methoxyphenyl)-1-piperazinyl]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-methoxyphenyl)piperazino]acetamide Formula: C22H25N3O5 MolecularWeight: 411.451

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CN3CCN(CC3)C4=CC(=CC=C4)OC)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CN3CCN(CC3)C4=CC(=CC=C4)OC)OCO2

InChI

InChI=1S/C22H25N3O5/c1-15(26)18-11-20-21(30-14-29-20)12-19(18)23-22(27)13-24-6-8-25(9-7-24)16-4-3-5-17(10-16)28-2/h3-5,10-12H,6-9,13-14H2,1-2H3,(H,23,27)