2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-N-(pyridin-3-ylmethyl)-1H-isoindole-1-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-N-(pyridin-3-ylmethyl)-1H-isoindole-1-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-N-(3-pyridylmethyl)isoindoline-1-carboxamide CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-N-(3-pyridinylmethyl)-1H-isoindole-1-carboxamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-1-carboxamide Traditional Name: 3-keto-2-piperonyl-N-(3-pyridylmethyl)isoindoline-1-carboxamide Formula: C23H19N3O4 MolecularWeight: 401.41466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(C4=CC=CC=C4C3=O)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(C4=CC=CC=C4C3=O)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C23H19N3O4/c27-22(25-12-16-4-3-9-24-11-16)21-17-5-1-2-6-18(17)23(28)26(21)13-15-7-8-19-20(10-15)30-14-29-19/h1-11,21H,12-14H2,(H,25,27)