N-(1,3-benzodioxol-5-yl)-1-[2-(4-bromanylphenoxy)ethanoyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-(4-bromanylphenoxy)ethanoyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[2-(4-bromophenoxy)-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-(4-bromophenoxy)acetyl]isonipecotamide Formula: C21H21BrN2O5 MolecularWeight: 461.30584

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)COC4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H21BrN2O5/c22-15-1-4-17(5-2-15)27-12-20(25)24-9-7-14(8-10-24)21(26)23-16-3-6-18-19(11-16)29-13-28-18/h1-6,11,14H,7-10,12-13H2,(H,23,26)