1-(3-bromophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-1,2,3-triazole-4-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)N2C=C(N=N2)C(=O)NCCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1=CC(=CC(=C1)Br)N2C=C(N=N2)C(=O)NCCC3=CC=C(C=C3)N4C=CC=N4

InChI

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