3-[2-(3,4-dimethoxyphenyl)ethylamino]-6-(4-methoxyphenyl)-2H-1,2,4-triazin-5-one

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-6-(4-methoxyphenyl)-2H-1,2,4-triazin-5-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-6-(4-methoxyphenyl)-2H-1,2,4-triazin-5-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-6-(4-methoxyphenyl)-2H-1,2,4-triazin-5-one IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-6-(4-methoxyphenyl)-2H-1,2,4-triazin-5-one Traditional Name: 3-(homoveratrylamino)-6-(4-methoxyphenyl)-2H-1,2,4-triazin-5-one Formula: C20H22N4O4 MolecularWeight: 382.41308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=NC2=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=NC2=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H22N4O4/c1-26-15-7-5-14(6-8-15)18-19(25)22-20(24-23-18)21-11-10-13-4-9-16(27-2)17(12-13)28-3/h4-9,12H,10-11H2,1-3H3,(H2,21,22,24,25)