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

Systemtic Name: 1-(3-bromophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-(3-bromophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide CAS Name: 1-(3-bromophenyl)-N-[[2-(1-pyrazolylmethyl)phenyl]methyl]-4-triazolecarboxamide IUPAC Name: 1-(3-bromophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide Traditional Name: 1-(3-bromophenyl)-N-[2-(pyrazol-1-ylmethyl)benzyl]triazole-4-carboxamide Formula: C20H17BrN6O MolecularWeight: 437.29258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)C2=CN(N=N2)C3=CC(=CC=C3)Br)CN4C=CC=N4

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)C2=CN(N=N2)C3=CC(=CC=C3)Br)CN4C=CC=N4

InChI

InChI=1S/C20H17BrN6O/c21-17-7-3-8-18(11-17)27-14-19(24-25-27)20(28)22-12-15-5-1-2-6-16(15)13-26-10-4-9-23-26/h1-11,14H,12-13H2,(H,22,28)