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

Systemtic Name: 1-(3-bromophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-(3-bromophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]triazole-4-carboxamide CAS Name: 1-(3-bromophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-4-triazolecarboxamide IUPAC Name: 1-(3-bromophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]triazole-4-carboxamide Traditional Name: 1-(3-bromophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]triazole-4-carboxamide Formula: C21H23BrN4O3 MolecularWeight: 459.33632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CN(N=N2)C3=CC(=CC=C3)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CN(N=N2)C3=CC(=CC=C3)Br)OCC

InChI

InChI=1S/C21H23BrN4O3/c1-3-28-19-9-8-15(12-20(19)29-4-2)10-11-23-21(27)18-14-26(25-24-18)17-7-5-6-16(22)13-17/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,23,27)