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

Systemtic Name: 5-azanyl-1-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]triazole-4-carboxamide CAS Name: 5-amino-1-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-triazolecarboxamide IUPAC Name: 5-amino-1-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]triazole-4-carboxamide Traditional Name: 5-amino-1-(4-bromophenyl)-N-homoveratryl-triazole-4-carboxamide Formula: C19H20BrN5O3 MolecularWeight: 446.2978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN5O3/c1-27-15-8-3-12(11-16(15)28-2)9-10-22-19(26)17-18(21)25(24-23-17)14-6-4-13(20)5-7-14/h3-8,11H,9-10,21H2,1-2H3,(H,22,26)