[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperidin-1-yl]-(4-methyl-3-nitro-phenyl)methanone

Systemtic Name: [4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperidin-1-yl]-(4-methyl-3-nitro-phenyl)methanone Openeye Name: [4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-1-piperidyl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [4-[(5,6-dimethyl-1-benzimidazolyl)methyl]-1-piperidinyl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperidin-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperidino]-(4-methyl-3-nitro-phenyl)methanone Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCC(CC2)CN3C=NC4=C3C=C(C(=C4)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCC(CC2)CN3C=NC4=C3C=C(C(=C4)C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O3/c1-15-4-5-19(12-21(15)27(29)30)23(28)25-8-6-18(7-9-25)13-26-14-24-20-10-16(2)17(3)11-22(20)26/h4-5,10-12,14,18H,6-9,13H2,1-3H3