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

Systemtic Name: [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methyl-3-nitro-phenyl)methanone Openeye Name: [(3R)-3-(1H-benzimidazol-2-yl)-1-piperidyl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [(3R)-3-(1H-benzimidazol-2-yl)-1-piperidinyl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [(3R)-3-(1H-benzimidazol-2-yl)piperidino]-(4-methyl-3-nitro-phenyl)methanone Formula: C20H20N4O3 MolecularWeight: 364.3978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3/c1-13-8-9-14(11-18(13)24(26)27)20(25)23-10-4-5-15(12-23)19-21-16-6-2-3-7-17(16)22-19/h2-3,6-9,11,15H,4-5,10,12H2,1H3,(H,21,22)/t15-/m1/s1