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

Systemtic Name: (E)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-N-(3-ethanoylphenyl)prop-2-enamide Openeye Name: (E)-N-(3-acetylphenyl)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-prop-2-enamide CAS Name: (E)-N-(3-acetylphenyl)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-2-propenamide IUPAC Name: (E)-N-(3-acetylphenyl)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enamide Traditional Name: (E)-N-(3-acetylphenyl)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-acrylamide Formula: C21H15BrN4O2 MolecularWeight: 435.2734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15BrN4O2/c1-13(27)15-3-2-4-19(10-15)25-21(28)16(11-23)9-17-12-24-26-20(17)14-5-7-18(22)8-6-14/h2-10,12H,1H3,(H,24,26)(H,25,28)/b16-9+