[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4,5-dimethoxy-2-nitro-phenyl)methanone

Systemtic Name: [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4,5-dimethoxy-2-nitro-phenyl)methanone Openeye Name: [(3S)-3-(1H-benzimidazol-2-yl)-1-piperidyl]-(4,5-dimethoxy-2-nitro-phenyl)methanone CAS Name: [(3S)-3-(1H-benzimidazol-2-yl)-1-piperidinyl]-(4,5-dimethoxy-2-nitrophenyl)methanone IUPAC Name: [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4,5-dimethoxy-2-nitrophenyl)methanone Traditional Name: [(3S)-3-(1H-benzimidazol-2-yl)piperidino]-(4,5-dimethoxy-2-nitro-phenyl)methanone Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4N3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N2CCC[C@@H](C2)C3=NC4=CC=CC=C4N3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22N4O5/c1-29-18-10-14(17(25(27)28)11-19(18)30-2)21(26)24-9-5-6-13(12-24)20-22-15-7-3-4-8-16(15)23-20/h3-4,7-8,10-11,13H,5-6,9,12H2,1-2H3,(H,22,23)/t13-/m0/s1