1-(2-bromophenyl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-(2-bromophenyl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-(2-bromophenyl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]triazole-4-carboxamide CAS Name: 1-(2-bromophenyl)-N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-4-triazolecarboxamide IUPAC Name: 1-(2-bromophenyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]triazole-4-carboxamide Traditional Name: 1-(2-bromophenyl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]triazole-4-carboxamide Formula: C21H19BrN6O MolecularWeight: 451.31916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=CN(N=N3)C4=CC=CC=C4Br

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=CN(N=N3)C4=CC=CC=C4Br

InChI

InChI=1S/C21H19BrN6O/c1-14-17(15(2)28(25-14)16-8-4-3-5-9-16)12-23-21(29)19-13-27(26-24-19)20-11-7-6-10-18(20)22/h3-11,13H,12H2,1-2H3,(H,23,29)