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

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chloranyl-phenyl]pyridine-3-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chloro-phenyl]pyridine-3-carboxamide CAS Name: N-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-4-chlorophenyl]-3-pyridinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chlorophenyl]pyridine-3-carboxamide Traditional Name: N-[4-chloro-2-(piperonylcarbamoyl)phenyl]nicotinamide Formula: C21H16ClN3O4 MolecularWeight: 409.82244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClN3O4/c22-15-4-5-17(25-20(26)14-2-1-7-23-11-14)16(9-15)21(27)24-10-13-3-6-18-19(8-13)29-12-28-18/h1-9,11H,10,12H2,(H,24,27)(H,25,26)