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

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[2-(piperonylcarbamoyl)phenyl]-3H-phthalazine-1-carboxamide Formula: C24H18N4O5 MolecularWeight: 442.42352

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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=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=CC=C3NC(=O)C4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C24H18N4O5/c29-22(25-12-14-9-10-19-20(11-14)33-13-32-19)17-7-3-4-8-18(17)26-24(31)21-15-5-1-2-6-16(15)23(30)28-27-21/h1-11H,12-13H2,(H,25,29)(H,26,31)(H,28,30)