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

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-5-bromanyl-pyridine-3-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-5-bromo-pyridine-3-carboxamide CAS Name: N-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-5-bromo-3-pyridinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-5-bromopyridine-3-carboxamide Traditional Name: 5-bromo-N-[2-(piperonylcarbamoyl)phenyl]nicotinamide Formula: C21H16BrN3O4 MolecularWeight: 454.27344

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=CC=C3NC(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=CC=C3NC(=O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C21H16BrN3O4/c22-15-8-14(10-23-11-15)20(26)25-17-4-2-1-3-16(17)21(27)24-9-13-5-6-18-19(7-13)29-12-28-18/h1-8,10-11H,9,12H2,(H,24,27)(H,25,26)