2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide

Systemtic Name: 2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide Openeye Name: 2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide CAS Name: 2-cyano-3-(1,3-diphenyl-4-pyrazolyl)-N-[3-(trifluoromethyl)phenyl]-2-propenamide IUPAC Name: 2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide Traditional Name: 2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-[3-(trifluoromethyl)phenyl]acrylamide Formula: C26H17F3N4O MolecularWeight: 458.43459

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NC3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NC3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C26H17F3N4O/c27-26(28,29)21-10-7-11-22(15-21)31-25(34)19(16-30)14-20-17-33(23-12-5-2-6-13-23)32-24(20)18-8-3-1-4-9-18/h1-15,17H,(H,31,34)