[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-(3-methyl-4-nitro-phenyl)methanone

Systemtic Name: [4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-(3-methyl-4-nitro-phenyl)methanone Openeye Name: [4-[2-(3,5-dimethoxyphenyl)ethyl]-1-piperidyl]-(3-methyl-4-nitro-phenyl)methanone CAS Name: [4-[2-(3,5-dimethoxyphenyl)ethyl]-1-piperidinyl]-(3-methyl-4-nitrophenyl)methanone IUPAC Name: [4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-(3-methyl-4-nitrophenyl)methanone Traditional Name: [4-[2-(3,5-dimethoxyphenyl)ethyl]piperidino]-(3-methyl-4-nitro-phenyl)methanone Formula: C23H28N2O5 MolecularWeight: 412.47882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCC(CC2)CCC3=CC(=CC(=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCC(CC2)CCC3=CC(=CC(=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H28N2O5/c1-16-12-19(6-7-22(16)25(27)28)23(26)24-10-8-17(9-11-24)4-5-18-13-20(29-2)15-21(14-18)30-3/h6-7,12-15,17H,4-5,8-11H2,1-3H3