2-(1,3-benzodioxol-5-ylamino)-1-(4-ethanoylpiperazin-1-yl)propan-1-one

Systemtic Name: 2-(1,3-benzodioxol-5-ylamino)-1-(4-ethanoylpiperazin-1-yl)propan-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-(1,3-benzodioxol-5-ylamino)propan-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-2-(1,3-benzodioxol-5-ylamino)-1-propanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-(1,3-benzodioxol-5-ylamino)propan-1-one Traditional Name: 1-(4-acetylpiperazino)-2-(1,3-benzodioxol-5-ylamino)propan-1-one Formula: C16H21N3O4 MolecularWeight: 319.35564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C(=O)C)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C(=O)C)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H21N3O4/c1-11(16(21)19-7-5-18(6-8-19)12(2)20)17-13-3-4-14-15(9-13)23-10-22-14/h3-4,9,11,17H,5-8,10H2,1-2H3