1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-fluoranylphenoxy)butan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-fluoranylphenoxy)butan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-fluorophenoxy)butan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(4-fluorophenoxy)-1-butanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-fluorophenoxy)butan-1-one Traditional Name: 2-(4-fluorophenoxy)-1-(4-piperonylpiperazino)butan-1-one Formula: C22H25FN2O4 MolecularWeight: 400.443303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)OC4=CC=C(C=C4)F

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)OC4=CC=C(C=C4)F

InChI

InChI=1S/C22H25FN2O4/c1-2-19(29-18-6-4-17(23)5-7-18)22(26)25-11-9-24(10-12-25)14-16-3-8-20-21(13-16)28-15-27-20/h3-8,13,19H,2,9-12,14-15H2,1H3