3-[(4-bromophenyl)amino]-6-[(3,4-dimethoxyphenyl)methyl]-2H-1,2,4-triazin-5-one

Systemtic Name: 3-[(4-bromophenyl)amino]-6-[(3,4-dimethoxyphenyl)methyl]-2H-1,2,4-triazin-5-one Openeye Name: 3-(4-bromoanilino)-6-[(3,4-dimethoxyphenyl)methyl]-2H-1,2,4-triazin-5-one CAS Name: 3-(4-bromoanilino)-6-[(3,4-dimethoxyphenyl)methyl]-2H-1,2,4-triazin-5-one IUPAC Name: 3-(4-bromoanilino)-6-[(3,4-dimethoxyphenyl)methyl]-2H-1,2,4-triazin-5-one Traditional Name: 3-(4-bromoanilino)-6-veratryl-2H-1,2,4-triazin-5-one Formula: C18H17BrN4O3 MolecularWeight: 417.25658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NNC(=NC2=O)NC3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NNC(=NC2=O)NC3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C18H17BrN4O3/c1-25-15-8-3-11(10-16(15)26-2)9-14-17(24)21-18(23-22-14)20-13-6-4-12(19)5-7-13/h3-8,10H,9H2,1-2H3,(H2,20,21,23,24)