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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(2-bromanyl-5-methoxy-phenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(2-bromo-5-methoxy-benzoyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(2-bromo-5-methoxyphenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(2-bromo-5-methoxybenzoyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(2-bromo-5-methoxy-benzoyl)isonipecotamide Formula: C21H21BrN2O5 MolecularWeight: 461.30584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O5/c1-27-15-3-4-17(22)16(11-15)21(26)24-8-6-13(7-9-24)20(25)23-14-2-5-18-19(10-14)29-12-28-18/h2-5,10-11,13H,6-9,12H2,1H3,(H,23,25)