(E)-3-(1,3-benzodioxol-5-yl)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]but-2-en-1-one

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]but-2-en-1-one Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]but-2-en-1-one CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]-2-buten-1-one IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]but-2-en-1-one Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(2-keto-2-pyrrolidino-ethyl)piperazino]but-2-en-1-one Formula: C21H27N3O4 MolecularWeight: 385.45678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CCN(CC1)CC(=O)N2CCCC2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C/C(=C\C(=O)N1CCN(CC1)CC(=O)N2CCCC2)/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H27N3O4/c1-16(17-4-5-18-19(13-17)28-15-27-18)12-20(25)24-10-8-22(9-11-24)14-21(26)23-6-2-3-7-23/h4-5,12-13H,2-3,6-11,14-15H2,1H3/b16-12+