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

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-bromanyl-phenyl]pyridine-4-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-bromo-phenyl]pyridine-4-carboxamide CAS Name: N-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-4-bromophenyl]-4-pyridinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-bromophenyl]pyridine-4-carboxamide Traditional Name: N-[4-bromo-2-(piperonylcarbamoyl)phenyl]isonicotinamide 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=C(C=CC(=C3)Br)NC(=O)C4=CC=NC=C4

Isomeric SMILES

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

InChI

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