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

Systemtic Name: 1-(3-bromophenyl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1,2,3-triazole-4-carboxamide Openeye Name: N-[[4-(benzyloxymethyl)phenyl]methyl]-1-(3-bromophenyl)triazole-4-carboxamide CAS Name: 1-(3-bromophenyl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-4-triazolecarboxamide IUPAC Name: 1-(3-bromophenyl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]triazole-4-carboxamide Traditional Name: N-[4-(benzoxymethyl)benzyl]-1-(3-bromophenyl)triazole-4-carboxamide Formula: C24H21BrN4O2 MolecularWeight: 477.35314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2=CC=C(C=C2)CNC(=O)C3=CN(N=N3)C4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)COCC2=CC=C(C=C2)CNC(=O)C3=CN(N=N3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C24H21BrN4O2/c25-21-7-4-8-22(13-21)29-15-23(27-28-29)24(30)26-14-18-9-11-20(12-10-18)17-31-16-19-5-2-1-3-6-19/h1-13,15H,14,16-17H2,(H,26,30)