2-(2-bromanyl-4-cyano-6-ethoxy-phenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(2-bromanyl-4-cyano-6-ethoxy-phenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(2-bromo-4-cyano-6-ethoxy-phenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[[2-(1-pyrazolylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(2-bromo-4-cyano-6-ethoxy-phenoxy)-N-[2-(pyrazol-1-ylmethyl)benzyl]acetamide Formula: C22H21BrN4O3 MolecularWeight: 469.33114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OCC(=O)NCC2=CC=CC=C2CN3C=CC=N3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OCC(=O)NCC2=CC=CC=C2CN3C=CC=N3

InChI

InChI=1S/C22H21BrN4O3/c1-2-29-20-11-16(12-24)10-19(23)22(20)30-15-21(28)25-13-17-6-3-4-7-18(17)14-27-9-5-8-26-27/h3-11H,2,13-15H2,1H3,(H,25,28)