3-(4-bromophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(4-bromophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide Openeye Name: 3-(4-bromophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide CAS Name: 3-(4-bromophenyl)-N-[[2-(1-pyrazolylmethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(4-bromophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide Traditional Name: 3-(4-bromophenyl)-N-[2-(pyrazol-1-ylmethyl)benzyl]-1H-pyrazole-5-carboxamide Formula: C21H18BrN5O MolecularWeight: 436.30452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br)CN4C=CC=N4

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br)CN4C=CC=N4

InChI

InChI=1S/C21H18BrN5O/c22-18-8-6-15(7-9-18)19-12-20(26-25-19)21(28)23-13-16-4-1-2-5-17(16)14-27-11-3-10-24-27/h1-12H,13-14H2,(H,23,28)(H,25,26)