(E)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-N-(4-ethoxyphenyl)prop-2-enamide

Systemtic Name: (E)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-N-(4-ethoxyphenyl)prop-2-enamide Openeye Name: (E)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-N-(4-ethoxyphenyl)prop-2-enamide CAS Name: (E)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-N-(4-ethoxyphenyl)-2-propenamide IUPAC Name: (E)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-N-(4-ethoxyphenyl)prop-2-enamide Traditional Name: (E)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-N-p-phenetyl-acrylamide Formula: C21H17BrN4O2 MolecularWeight: 437.28928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(=CC2=C(NN=C2)C3=CC=C(C=C3)Br)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)/C(=C/C2=C(NN=C2)C3=CC=C(C=C3)Br)/C#N

InChI

InChI=1S/C21H17BrN4O2/c1-2-28-19-9-7-18(8-10-19)25-21(27)15(12-23)11-16-13-24-26-20(16)14-3-5-17(22)6-4-14/h3-11,13H,2H2,1H3,(H,24,26)(H,25,27)/b15-11+