N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-bromanyl-5-methoxy-phenyl]pyridine-4-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-bromanyl-5-methoxy-phenyl]pyridine-4-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-bromo-5-methoxy-phenyl]pyridine-4-carboxamide CAS Name: N-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-4-bromo-5-methoxyphenyl]-4-pyridinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-bromo-5-methoxyphenyl]pyridine-4-carboxamide Traditional Name: N-[4-bromo-5-methoxy-2-(piperonylcarbamoyl)phenyl]isonicotinamide Formula: C22H18BrN3O5 MolecularWeight: 484.29942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)NC(=O)C2=CC=NC=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)Br

Isomeric SMILES

COC1=C(C=C(C(=C1)NC(=O)C2=CC=NC=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)Br

InChI

InChI=1S/C22H18BrN3O5/c1-29-19-10-17(26-21(27)14-4-6-24-7-5-14)15(9-16(19)23)22(28)25-11-13-2-3-18-20(8-13)31-12-30-18/h2-10H,11-12H2,1H3,(H,25,28)(H,26,27)