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

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-6-(phenylmethyl)-2H-1,2,4-triazin-5-one Openeye Name: 6-benzyl-3-[2-(3,4-dimethoxyphenyl)ethylamino]-2H-1,2,4-triazin-5-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-6-(phenylmethyl)-2H-1,2,4-triazin-5-one IUPAC Name: 6-benzyl-3-[2-(3,4-dimethoxyphenyl)ethylamino]-2H-1,2,4-triazin-5-one Traditional Name: 6-benzyl-3-(homoveratrylamino)-2H-1,2,4-triazin-5-one Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC(=O)C(=NN2)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC(=O)C(=NN2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C20H22N4O3/c1-26-17-9-8-15(13-18(17)27-2)10-11-21-20-22-19(25)16(23-24-20)12-14-6-4-3-5-7-14/h3-9,13H,10-12H2,1-2H3,(H2,21,22,24,25)