N-(1,3-benzodioxol-5-yl)-1-(3-bromanyl-2,5-dimethoxy-phenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(3-bromanyl-2,5-dimethoxy-phenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(3-bromo-2,5-dimethoxy-benzoyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(3-bromo-2,5-dimethoxyphenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(3-bromo-2,5-dimethoxybenzoyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(3-bromo-2,5-dimethoxy-benzoyl)isonipecotamide Formula: C22H23BrN2O6 MolecularWeight: 491.33182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)C(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)OC)Br

Isomeric SMILES

COC1=CC(=C(C(=C1)C(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)OC)Br

InChI

InChI=1S/C22H23BrN2O6/c1-28-15-10-16(20(29-2)17(23)11-15)22(27)25-7-5-13(6-8-25)21(26)24-14-3-4-18-19(9-14)31-12-30-18/h3-4,9-11,13H,5-8,12H2,1-2H3,(H,24,26)