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

Systemtic Name: 2-[3-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-(4-piperonyloylpiperazino)propyl]isoindoline-1,3-quinone Formula: C23H23N3O5 MolecularWeight: 421.44582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C(=O)C3=CC=CC=C3C2=O)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1CCCN2C(=O)C3=CC=CC=C3C2=O)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H23N3O5/c27-21(16-6-7-19-20(14-16)31-15-30-19)25-12-10-24(11-13-25)8-3-9-26-22(28)17-4-1-2-5-18(17)23(26)29/h1-2,4-7,14H,3,8-13,15H2