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

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(4-hydroxyphenyl)-1-piperazinyl]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(4-hydroxyphenyl)piperazino]acetamide Formula: C21H23N3O5 MolecularWeight: 397.42442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5/c1-14(25)17-10-19-20(29-13-28-19)11-18(17)22-21(27)12-23-6-8-24(9-7-23)15-2-4-16(26)5-3-15/h2-5,10-11,26H,6-9,12-13H2,1H3,(H,22,27)