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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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