N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-1-(2-nitrophenyl)isonipecotamide Formula: C22H26BrN3O5 MolecularWeight: 492.36294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])Br)OC

InChI

InChI=1S/C22H26BrN3O5/c1-30-20-13-16(17(23)14-21(20)31-2)7-10-24-22(27)15-8-11-25(12-9-15)18-5-3-4-6-19(18)26(28)29/h3-6,13-15H,7-12H2,1-2H3,(H,24,27)