N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2-oxidanylidene-1H-quinoline-4-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide CAS Name: N-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide Traditional Name: 2-keto-N-[2-(piperonylcarbamoyl)phenyl]-1H-quinoline-4-carboxamide Formula: C25H19N3O5 MolecularWeight: 441.43546

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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(=O)NC5=CC=CC=C54

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=CC=C3NC(=O)C4=CC(=O)NC5=CC=CC=C54

InChI

InChI=1S/C25H19N3O5/c29-23-12-18(16-5-1-3-7-19(16)27-23)25(31)28-20-8-4-2-6-17(20)24(30)26-13-15-9-10-21-22(11-15)33-14-32-21/h1-12H,13-14H2,(H,26,30)(H,27,29)(H,28,31)