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

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione Traditional Name: 1-(4-fluorophenyl)-3-(4-piperonylpiperazino)pyrrolidine-2,5-quinone Formula: C22H22FN3O4 MolecularWeight: 411.426183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4CC(=O)N(C4=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4CC(=O)N(C4=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C22H22FN3O4/c23-16-2-4-17(5-3-16)26-21(27)12-18(22(26)28)25-9-7-24(8-10-25)13-15-1-6-19-20(11-15)30-14-29-19/h1-6,11,18H,7-10,12-14H2