2-(4-cyano-2-ethoxy-phenoxy)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(4-cyano-2-ethoxy-phenoxy)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(4-cyano-2-ethoxy-phenoxy)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(4-cyano-2-ethoxyphenoxy)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(4-cyano-2-ethoxyphenoxy)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(4-cyano-2-ethoxy-phenoxy)-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]acetamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C#N)OCC(=O)NCC2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C#N)OCC(=O)NCC2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C21H21N5O3/c1-2-28-20-9-18(10-22)7-8-19(20)29-13-21(27)24-11-16-3-5-17(6-4-16)12-26-15-23-14-25-26/h3-9,14-15H,2,11-13H2,1H3,(H,24,27)