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

Systemtic Name: 1-(3-bromophenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-(3-bromophenyl)-N-[[4-(tetrahydrofuran-2-ylmethoxy)phenyl]methyl]triazole-4-carboxamide CAS Name: 1-(3-bromophenyl)-N-[[4-(2-oxolanylmethoxy)phenyl]methyl]-4-triazolecarboxamide IUPAC Name: 1-(3-bromophenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]triazole-4-carboxamide Traditional Name: 1-(3-bromophenyl)-N-[4-(tetrahydrofurfuryloxy)benzyl]triazole-4-carboxamide Formula: C21H21BrN4O3 MolecularWeight: 457.32044

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC2=CC=C(C=C2)CNC(=O)C3=CN(N=N3)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CC(OC1)COC2=CC=C(C=C2)CNC(=O)C3=CN(N=N3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H21BrN4O3/c22-16-3-1-4-17(11-16)26-13-20(24-25-26)21(27)23-12-15-6-8-18(9-7-15)29-14-19-5-2-10-28-19/h1,3-4,6-9,11,13,19H,2,5,10,12,14H2,(H,23,27)