3-(1,3-benzodioxol-5-ylmethylamino)-6-(4-methoxyphenyl)-2H-1,2,4-triazin-5-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylamino)-6-(4-methoxyphenyl)-2H-1,2,4-triazin-5-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethylamino)-6-(4-methoxyphenyl)-2H-1,2,4-triazin-5-one CAS Name: 3-(1,3-benzodioxol-5-ylmethylamino)-6-(4-methoxyphenyl)-2H-1,2,4-triazin-5-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylamino)-6-(4-methoxyphenyl)-2H-1,2,4-triazin-5-one Traditional Name: 6-(4-methoxyphenyl)-3-(piperonylamino)-2H-1,2,4-triazin-5-one Formula: C18H16N4O4 MolecularWeight: 352.34404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=NC2=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=NC2=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H16N4O4/c1-24-13-5-3-12(4-6-13)16-17(23)20-18(22-21-16)19-9-11-2-7-14-15(8-11)26-10-25-14/h2-8H,9-10H2,1H3,(H2,19,20,22,23)