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

Systemtic Name: 1-(3-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-(3-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]triazole-4-carboxamide CAS Name: 1-(3-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-triazolecarboxamide IUPAC Name: 1-(3-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]triazole-4-carboxamide Traditional Name: 1-(3-bromophenyl)-N-homoveratryl-triazole-4-carboxamide Formula: C19H19BrN4O3 MolecularWeight: 431.28316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CN(N=N2)C3=CC(=CC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CN(N=N2)C3=CC(=CC=C3)Br)OC

InChI

InChI=1S/C19H19BrN4O3/c1-26-17-7-6-13(10-18(17)27-2)8-9-21-19(25)16-12-24(23-22-16)15-5-3-4-14(20)11-15/h3-7,10-12H,8-9H2,1-2H3,(H,21,25)