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

Systemtic Name: 2-[[1-[[4-(3-methylphenyl)piperazin-1-yl]methyl]benzimidazol-2-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[1-[[4-(m-tolyl)piperazin-1-yl]methyl]benzimidazol-2-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[1-[[4-(3-methylphenyl)-1-piperazinyl]methyl]-2-benzimidazolyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[1-[[4-(3-methylphenyl)piperazin-1-yl]methyl]benzimidazol-2-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[1-[[4-(m-tolyl)piperazino]methyl]benzimidazol-2-yl]methyl]isoindoline-1,3-quinone Formula: C28H27N5O2 MolecularWeight: 465.54628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CN3C4=CC=CC=C4N=C3CN5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CN3C4=CC=CC=C4N=C3CN5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C28H27N5O2/c1-20-7-6-8-21(17-20)31-15-13-30(14-16-31)19-33-25-12-5-4-11-24(25)29-26(33)18-32-27(34)22-9-2-3-10-23(22)28(32)35/h2-12,17H,13-16,18-19H2,1H3