3-[1-[4-methyl-3-(2-methyl-5-nitro-phenoxy)pentyl]piperidin-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[1-[4-methyl-3-(2-methyl-5-nitro-phenoxy)pentyl]piperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[4-methyl-3-(2-methyl-5-nitro-phenoxy)pentyl]-4-piperidyl]-1H-benzimidazol-2-one CAS Name: 3-[1-[4-methyl-3-(2-methyl-5-nitrophenoxy)pentyl]-4-piperidinyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[4-methyl-3-(2-methyl-5-nitrophenoxy)pentyl]piperidin-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[4-methyl-3-(2-methyl-5-nitro-phenoxy)pentyl]-4-piperidyl]-1H-benzimidazol-2-one Formula: C25H32N4O4 MolecularWeight: 452.54598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])OC(CCN2CCC(CC2)N3C4=CC=CC=C4NC3=O)C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])OC(CCN2CCC(CC2)N3C4=CC=CC=C4NC3=O)C(C)C

InChI

InChI=1S/C25H32N4O4/c1-17(2)23(33-24-16-20(29(31)32)9-8-18(24)3)12-15-27-13-10-19(11-14-27)28-22-7-5-4-6-21(22)26-25(28)30/h4-9,16-17,19,23H,10-15H2,1-3H3,(H,26,30)