N-[[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]aniline

Systemtic Name: N-[[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]aniline Openeye Name: N-[[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]aniline CAS Name: N-[[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]aniline IUPAC Name: N-[[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]aniline Traditional Name: [3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl-phenyl-amine Formula: C16H16N4O MolecularWeight: 280.32444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NNC(=N2)CNC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)C2=NNC(=N2)CNC3=CC=CC=C3

InChI

InChI=1S/C16H16N4O/c1-21-14-9-5-6-12(10-14)16-18-15(19-20-16)11-17-13-7-3-2-4-8-13/h2-10,17H,11H2,1H3,(H,18,19,20)