2-[[1-[[4-(4-methylphenyl)piperazin-1-yl]methyl]benzimidazol-2-yl]methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[1-[[4-(4-methylphenyl)piperazin-1-yl]methyl]benzimidazol-2-yl]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 5-nitro-2-[[1-[[4-(p-tolyl)piperazin-1-yl]methyl]benzimidazol-2-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[1-[[4-(4-methylphenyl)-1-piperazinyl]methyl]-2-benzimidazolyl]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[1-[[4-(4-methylphenyl)piperazin-1-yl]methyl]benzimidazol-2-yl]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 5-nitro-2-[[1-[[4-(p-tolyl)piperazino]methyl]benzimidazol-2-yl]methyl]isoindoline-1,3-quinone Formula: C28H26N6O4 MolecularWeight: 510.54384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CCN(CC2)CN3C4=CC=CC=C4N=C3CN5C(=O)C6=C(C5=O)C=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2CCN(CC2)CN3C4=CC=CC=C4N=C3CN5C(=O)C6=C(C5=O)C=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C28H26N6O4/c1-19-6-8-20(9-7-19)31-14-12-30(13-15-31)18-33-25-5-3-2-4-24(25)29-26(33)17-32-27(35)22-11-10-21(34(37)38)16-23(22)28(32)36/h2-11,16H,12-15,17-18H2,1H3