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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-phenethyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-phenethyl-triazole-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-phenethyl-4-triazolecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-phenethyltriazole-4-carboxamide Traditional Name: N-homoveratryl-1-phenethyl-triazole-4-carboxamide Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CN(N=N2)CCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CN(N=N2)CCC3=CC=CC=C3)OC

InChI

InChI=1S/C21H24N4O3/c1-27-19-9-8-17(14-20(19)28-2)10-12-22-21(26)18-15-25(24-23-18)13-11-16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3,(H,22,26)