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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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