1-(3-bromophenyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-(3-bromophenyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-(3-bromophenyl)-N-[[4-(3-pyridylmethoxy)phenyl]methyl]triazole-4-carboxamide CAS Name: 1-(3-bromophenyl)-N-[[4-(3-pyridinylmethoxy)phenyl]methyl]-4-triazolecarboxamide IUPAC Name: 1-(3-bromophenyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]triazole-4-carboxamide Traditional Name: 1-(3-bromophenyl)-N-[4-(3-pyridylmethoxy)benzyl]triazole-4-carboxamide Formula: C22H18BrN5O2 MolecularWeight: 464.31462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)N2C=C(N=N2)C(=O)NCC3=CC=C(C=C3)OCC4=CN=CC=C4

Isomeric SMILES

C1=CC(=CC(=C1)Br)N2C=C(N=N2)C(=O)NCC3=CC=C(C=C3)OCC4=CN=CC=C4

InChI

InChI=1S/C22H18BrN5O2/c23-18-4-1-5-19(11-18)28-14-21(26-27-28)22(29)25-13-16-6-8-20(9-7-16)30-15-17-3-2-10-24-12-17/h1-12,14H,13,15H2,(H,25,29)