[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-3-nitro-phenyl)methanone

Systemtic Name: [4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-3-nitro-phenyl)methanone Openeye Name: [4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-1-piperidyl]-(2-methyl-3-nitro-phenyl)methanone CAS Name: [4-[(5,6-dimethyl-1-benzimidazolyl)methyl]-1-piperidinyl]-(2-methyl-3-nitrophenyl)methanone IUPAC Name: [4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-3-nitrophenyl)methanone Traditional Name: [4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperidino]-(2-methyl-3-nitro-phenyl)methanone Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C=N2)CC3CCN(CC3)C(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C=N2)CC3CCN(CC3)C(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C

InChI

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