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

Systemtic Name: [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methoxy-3-nitro-phenyl)methanone Openeye Name: [(3R)-3-(1H-benzimidazol-2-yl)-1-piperidyl]-(4-methoxy-3-nitro-phenyl)methanone CAS Name: [(3R)-3-(1H-benzimidazol-2-yl)-1-piperidinyl]-(4-methoxy-3-nitrophenyl)methanone IUPAC Name: [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methoxy-3-nitrophenyl)methanone Traditional Name: [(3R)-3-(1H-benzimidazol-2-yl)piperidino]-(4-methoxy-3-nitro-phenyl)methanone Formula: C20H20N4O4 MolecularWeight: 380.3972

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4/c1-28-18-9-8-13(11-17(18)24(26)27)20(25)23-10-4-5-14(12-23)19-21-15-6-2-3-7-16(15)22-19/h2-3,6-9,11,14H,4-5,10,12H2,1H3,(H,21,22)/t14-/m1/s1