(4-methyl-3-nitro-phenyl)-[4-[[1-(phenylmethyl)benzimidazol-2-yl]methyl]piperazin-1-yl]methanone

Systemtic Name: (4-methyl-3-nitro-phenyl)-[4-[[1-(phenylmethyl)benzimidazol-2-yl]methyl]piperazin-1-yl]methanone Openeye Name: [4-[(1-benzylbenzimidazol-2-yl)methyl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: (4-methyl-3-nitrophenyl)-[4-[[1-(phenylmethyl)-2-benzimidazolyl]methyl]-1-piperazinyl]methanone IUPAC Name: [4-[(1-benzylbenzimidazol-2-yl)methyl]piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [4-[(1-benzylbenzimidazol-2-yl)methyl]piperazino]-(4-methyl-3-nitro-phenyl)methanone Formula: C27H27N5O3 MolecularWeight: 469.53498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4N3CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4N3CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H27N5O3/c1-20-11-12-22(17-25(20)32(34)35)27(33)30-15-13-29(14-16-30)19-26-28-23-9-5-6-10-24(23)31(26)18-21-7-3-2-4-8-21/h2-12,17H,13-16,18-19H2,1H3