2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanyl-propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanyl-propyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-hydroxy-propyl]isoindoline-1,3-dione CAS Name: 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-hydroxypropyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-hydroxypropyl]isoindole-1,3-dione Traditional Name: 2-[2-hydroxy-3-(4-piperonylpiperazino)propyl]isoindoline-1,3-quinone Formula: C23H25N3O5 MolecularWeight: 423.4617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(CN4C(=O)C5=CC=CC=C5C4=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(CN4C(=O)C5=CC=CC=C5C4=O)O

InChI

InChI=1S/C23H25N3O5/c27-17(14-26-22(28)18-3-1-2-4-19(18)23(26)29)13-25-9-7-24(8-10-25)12-16-5-6-20-21(11-16)31-15-30-20/h1-6,11,17,27H,7-10,12-15H2