N-[1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-5-yl]-3-nitro-benzamide

Systemtic Name: N-[1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-5-yl]-3-nitro-benzamide Openeye Name: N-[1-methyl-2-[2-[4-(p-tolyl)piperazin-1-yl]ethyl]benzimidazol-5-yl]-3-nitro-benzamide CAS Name: N-[1-methyl-2-[2-[4-(4-methylphenyl)-1-piperazinyl]ethyl]-5-benzimidazolyl]-3-nitrobenzamide IUPAC Name: N-[1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-5-yl]-3-nitrobenzamide Traditional Name: N-[1-methyl-2-[2-[4-(p-tolyl)piperazino]ethyl]benzimidazol-5-yl]-3-nitro-benzamide Formula: C28H30N6O3 MolecularWeight: 498.5762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CCN(CC2)CCC3=NC4=C(N3C)C=CC(=C4)NC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2CCN(CC2)CCC3=NC4=C(N3C)C=CC(=C4)NC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H30N6O3/c1-20-6-9-23(10-7-20)33-16-14-32(15-17-33)13-12-27-30-25-19-22(8-11-26(25)31(27)2)29-28(35)21-4-3-5-24(18-21)34(36)37/h3-11,18-19H,12-17H2,1-2H3,(H,29,35)