5-[4-(5-bromanylpyridin-3-yl)carbonylpiperazin-1-yl]-1,3-dimethyl-6-nitro-benzimidazol-2-one

Systemtic Name: 5-[4-(5-bromanylpyridin-3-yl)carbonylpiperazin-1-yl]-1,3-dimethyl-6-nitro-benzimidazol-2-one Openeye Name: 5-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-1,3-dimethyl-6-nitro-benzimidazol-2-one CAS Name: 5-[4-[(5-bromo-3-pyridinyl)-oxomethyl]-1-piperazinyl]-1,3-dimethyl-6-nitro-2-benzimidazolone IUPAC Name: 5-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-1,3-dimethyl-6-nitrobenzimidazol-2-one Traditional Name: 5-[4-(5-bromonicotinoyl)piperazino]-1,3-dimethyl-6-nitro-benzimidazol-2-one Formula: C19H19BrN6O4 MolecularWeight: 475.29596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=C(C=C2N(C1=O)C)[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

CN1C2=CC(=C(C=C2N(C1=O)C)[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C19H19BrN6O4/c1-22-14-8-16(17(26(29)30)9-15(14)23(2)19(22)28)24-3-5-25(6-4-24)18(27)12-7-13(20)11-21-10-12/h7-11H,3-6H2,1-2H3