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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-(3-bromanylphenoxy)ethanoyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[2-(3-bromophenoxy)acetyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[2-(3-bromophenoxy)-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[2-(3-bromophenoxy)acetyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-(3-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(=CC=C4)Br

Isomeric SMILES

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

InChI

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