4-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-4-ium-1-yl]-2-(2-pyrazol-1-ylethyl)isoindole-1,3-dione

Systemtic Name: 4-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-4-ium-1-yl]-2-(2-pyrazol-1-ylethyl)isoindole-1,3-dione Openeye Name: 4-(4-indan-2-ylpiperazin-4-ium-1-yl)-2-(2-pyrazol-1-ylethyl)isoindoline-1,3-dione CAS Name: 4-[4-(2,3-dihydro-1H-inden-2-yl)-1-piperazin-4-iumyl]-2-[2-(1-pyrazolyl)ethyl]isoindole-1,3-dione IUPAC Name: 4-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-4-ium-1-yl]-2-(2-pyrazol-1-ylethyl)isoindole-1,3-dione Traditional Name: 4-(4-indan-2-ylpiperazin-4-ium-1-yl)-2-(2-pyrazol-1-ylethyl)isoindoline-1,3-quinone Formula: C26H28N5O2+ MolecularWeight: 442.53282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC3=CC=CC=C3C2)C4=CC=CC5=C4C(=O)N(C5=O)CCN6C=CC=N6

Isomeric SMILES

C1CN(CC[NH+]1C2CC3=CC=CC=C3C2)C4=CC=CC5=C4C(=O)N(C5=O)CCN6C=CC=N6

InChI

InChI=1S/C26H27N5O2/c32-25-22-7-3-8-23(24(22)26(33)31(25)16-15-30-10-4-9-27-30)29-13-11-28(12-14-29)21-17-19-5-1-2-6-20(19)18-21/h1-10,21H,11-18H2/p+1