3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-5-fluoranyl-3-phenyl-1-benzofuran-2-one

Systemtic Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-5-fluoranyl-3-phenyl-1-benzofuran-2-one Openeye Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-5-fluoro-3-phenyl-benzofuran-2-one CAS Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]-5-fluoro-3-phenyl-2-benzofuranone IUPAC Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-5-fluoro-3-phenyl-1-benzofuran-2-one Traditional Name: 5-fluoro-3-[2-keto-2-(4-piperonylpiperazino)ethyl]-3-phenyl-coumaran-2-one Formula: C28H25FN2O5 MolecularWeight: 488.506903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CC4(C5=C(C=CC(=C5)F)OC4=O)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CC4(C5=C(C=CC(=C5)F)OC4=O)C6=CC=CC=C6

InChI

InChI=1S/C28H25FN2O5/c29-21-7-9-23-22(15-21)28(27(33)36-23,20-4-2-1-3-5-20)16-26(32)31-12-10-30(11-13-31)17-19-6-8-24-25(14-19)35-18-34-24/h1-9,14-15H,10-13,16-18H2