N-(4-bromophenyl)-2-[4-[[1-(2-cyanoethyl)-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene]methyl]-2-ethoxy-phenoxy]ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[4-[[1-(2-cyanoethyl)-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene]methyl]-2-ethoxy-phenoxy]ethanamide Openeye Name: N-(4-bromophenyl)-2-[4-[[1-(2-cyanoethyl)-5-oxo-3-phenyl-pyrazol-4-ylidene]methyl]-2-ethoxy-phenoxy]acetamide CAS Name: N-(4-bromophenyl)-2-[4-[[1-(2-cyanoethyl)-5-oxo-3-phenyl-4-pyrazolylidene]methyl]-2-ethoxyphenoxy]acetamide IUPAC Name: N-(4-bromophenyl)-2-[4-[[1-(2-cyanoethyl)-5-oxo-3-phenylpyrazol-4-ylidene]methyl]-2-ethoxyphenoxy]acetamide Traditional Name: N-(4-bromophenyl)-2-[4-[[1-(2-cyanoethyl)-5-keto-3-phenyl-2-pyrazolin-4-ylidene]methyl]-2-ethoxy-phenoxy]acetamide Formula: C29H25BrN4O4 MolecularWeight: 573.4372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)CCC#N)C3=CC=CC=C3)OCC(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)CCC#N)C3=CC=CC=C3)OCC(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C29H25BrN4O4/c1-2-37-26-18-20(9-14-25(26)38-19-27(35)32-23-12-10-22(30)11-13-23)17-24-28(21-7-4-3-5-8-21)33-34(29(24)36)16-6-15-31/h3-5,7-14,17-18H,2,6,16,19H2,1H3,(H,32,35)