1-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-3-(3-fluorophenyl)propan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-3-(3-fluorophenyl)propan-1-one Openeye Name: 1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3-(3-fluorophenyl)propan-1-one CAS Name: 1-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-3-(3-fluorophenyl)-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3-(3-fluorophenyl)propan-1-one Traditional Name: 3-(3-fluorophenyl)-1-(4-piperonyloylpiperazino)propan-1-one Formula: C21H21FN2O4 MolecularWeight: 384.400843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC2=CC(=CC=C2)F)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C(=O)CCC2=CC(=CC=C2)F)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21FN2O4/c22-17-3-1-2-15(12-17)4-7-20(25)23-8-10-24(11-9-23)21(26)16-5-6-18-19(13-16)28-14-27-18/h1-3,5-6,12-13H,4,7-11,14H2