4-[4-(furan-3-ylcarbonyl)piperazin-1-yl]-2-(pyridin-3-ylmethyl)isoindole-1,3-dione

Systemtic Name: 4-[4-(furan-3-ylcarbonyl)piperazin-1-yl]-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(3-pyridylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-[3-furanyl(oxo)methyl]-1-piperazinyl]-2-(3-pyridinylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Traditional Name: 4-[4-(3-furoyl)piperazino]-2-(3-pyridylmethyl)isoindoline-1,3-quinone Formula: C23H20N4O4 MolecularWeight: 416.4293

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC3=C2C(=O)N(C3=O)CC4=CN=CC=C4)C(=O)C5=COC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC3=C2C(=O)N(C3=O)CC4=CN=CC=C4)C(=O)C5=COC=C5

InChI

InChI=1S/C23H20N4O4/c28-21(17-6-12-31-15-17)26-10-8-25(9-11-26)19-5-1-4-18-20(19)23(30)27(22(18)29)14-16-3-2-7-24-13-16/h1-7,12-13,15H,8-11,14H2