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

Systemtic Name: [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethoxy-3-nitro-phenyl)methanone Openeye Name: [3-(1H-benzimidazol-2-yl)-1-piperidyl]-(4-ethoxy-3-nitro-phenyl)methanone CAS Name: [3-(1H-benzimidazol-2-yl)-1-piperidinyl]-(4-ethoxy-3-nitrophenyl)methanone IUPAC Name: [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethoxy-3-nitrophenyl)methanone Traditional Name: [3-(1H-benzimidazol-2-yl)piperidino]-(4-ethoxy-3-nitro-phenyl)methanone Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4/c1-2-29-19-10-9-14(12-18(19)25(27)28)21(26)24-11-5-6-15(13-24)20-22-16-7-3-4-8-17(16)23-20/h3-4,7-10,12,15H,2,5-6,11,13H2,1H3,(H,22,23)