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

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione Traditional Name: 1-(4-phenoxyphenyl)-3-(4-piperonylpiperazino)pyrrolidine-2,5-quinone Formula: C28H27N3O5 MolecularWeight: 485.53108

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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)OC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4CC(=O)N(C4=O)C5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C28H27N3O5/c32-27-17-24(28(33)31(27)21-7-9-23(10-8-21)36-22-4-2-1-3-5-22)30-14-12-29(13-15-30)18-20-6-11-25-26(16-20)35-19-34-25/h1-11,16,24H,12-15,17-19H2