N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-(4-bromanylphenoxy)pyridine-3-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-(4-bromanylphenoxy)pyridine-3-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-(4-bromophenoxy)pyridine-3-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-(4-bromophenoxy)-3-pyridinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-(4-bromophenoxy)pyridine-3-carboxamide Traditional Name: 6-(4-bromophenoxy)-N-homopiperonyl-nicotinamide Formula: C21H17BrN2O4 MolecularWeight: 441.27468

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNC(=O)C3=CN=C(C=C3)OC4=CC=C(C=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNC(=O)C3=CN=C(C=C3)OC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H17BrN2O4/c22-16-3-5-17(6-4-16)28-20-8-2-15(12-24-20)21(25)23-10-9-14-1-7-18-19(11-14)27-13-26-18/h1-8,11-12H,9-10,13H2,(H,23,25)