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

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenyl-pyrrolidine-2,5-dione Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenyl-pyrrolidine-2,5-dione CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-phenylpyrrolidine-2,5-dione IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione Traditional Name: 1-phenyl-3-(4-piperonylpiperazino)pyrrolidine-2,5-quinone Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4/c26-21-13-18(22(27)25(21)17-4-2-1-3-5-17)24-10-8-23(9-11-24)14-16-6-7-19-20(12-16)29-15-28-19/h1-7,12,18H,8-11,13-15H2