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

Systemtic Name: 2-(2-bromanyl-4-cyano-6-ethoxy-phenoxy)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamide Openeye Name: 2-(2-bromo-4-cyano-6-ethoxy-phenoxy)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide CAS Name: 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[[4-(1-pyrazolyl)phenyl]methyl]acetamide IUPAC Name: 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide Traditional Name: 2-(2-bromo-4-cyano-6-ethoxy-phenoxy)-N-(4-pyrazol-1-ylbenzyl)acetamide Formula: C21H19BrN4O3 MolecularWeight: 455.30456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OCC(=O)NCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OCC(=O)NCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C21H19BrN4O3/c1-2-28-19-11-16(12-23)10-18(22)21(19)29-14-20(27)24-13-15-4-6-17(7-5-15)26-9-3-8-25-26/h3-11H,2,13-14H2,1H3,(H,24,27)