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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-(4-fluorophenyl)-1-butanone IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one Traditional Name: 1-(4-fluorophenyl)-2-(4-piperonylpiperazino)butan-1-one Formula: C22H25FN2O3 MolecularWeight: 384.443903

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=C(C=C1)F)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC(C(=O)C1=CC=C(C=C1)F)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H25FN2O3/c1-2-19(22(26)17-4-6-18(23)7-5-17)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