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

Systemtic Name: [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,4,5-trimethoxy-2-nitro-phenyl)methanone Openeye Name: [3-(1H-benzimidazol-2-yl)-1-piperidyl]-(3,4,5-trimethoxy-2-nitro-phenyl)methanone CAS Name: [3-(1H-benzimidazol-2-yl)-1-piperidinyl]-(3,4,5-trimethoxy-2-nitrophenyl)methanone IUPAC Name: [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,4,5-trimethoxy-2-nitrophenyl)methanone Traditional Name: [3-(1H-benzimidazol-2-yl)piperidino]-(3,4,5-trimethoxy-2-nitro-phenyl)methanone Formula: C22H24N4O6 MolecularWeight: 440.44916

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O6/c1-30-17-11-14(18(26(28)29)20(32-3)19(17)31-2)22(27)25-10-6-7-13(12-25)21-23-15-8-4-5-9-16(15)24-21/h4-5,8-9,11,13H,6-7,10,12H2,1-3H3,(H,23,24)