N-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl]-1H-1,2,4-triazol-5-amine

Systemtic Name: N-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl]-1H-1,2,4-triazol-5-amine Openeye Name: N-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl]-1H-1,2,4-triazol-5-amine CAS Name: N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-1,2,4-triazol-5-amine IUPAC Name: N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-1,2,4-triazol-5-amine Traditional Name: [4-(4-chlorobenzyl)oxy-3-methoxy-benzyl]-(1H-1,2,4-triazol-5-yl)amine Formula: C17H17ClN4O2 MolecularWeight: 344.79548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC2=NC=NN2)OCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)CNC2=NC=NN2)OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H17ClN4O2/c1-23-16-8-13(9-19-17-20-11-21-22-17)4-7-15(16)24-10-12-2-5-14(18)6-3-12/h2-8,11H,9-10H2,1H3,(H2,19,20,21,22)