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

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[(4-piperonyloylpiperazino)methyl]isoindoline-1,3-quinone Formula: C21H19N3O5 MolecularWeight: 393.39266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=O)C3=CC=CC=C3C2=O)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1CN2C(=O)C3=CC=CC=C3C2=O)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H19N3O5/c25-19(14-5-6-17-18(11-14)29-13-28-17)23-9-7-22(8-10-23)12-24-20(26)15-3-1-2-4-16(15)21(24)27/h1-6,11H,7-10,12-13H2