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

Systemtic Name: 5-azanyl-1-(3-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-(3-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]triazole-4-carboxamide CAS Name: 5-amino-1-(3-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-triazolecarboxamide IUPAC Name: 5-amino-1-(3-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]triazole-4-carboxamide Traditional Name: 5-amino-1-(3-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(=CC=C3)Br)N)OC

Isomeric SMILES

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

InChI

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