(E)-2-cyano-3-[3-(3-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-N-(4-methylphenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[3-(3-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-N-(4-methylphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-[3-(3-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-N-(p-tolyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[3-(3-fluoro-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-N-(4-methylphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[3-(3-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-(4-methylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-[3-(3-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-N-(p-tolyl)acrylamide Formula: C27H21FN4O2 MolecularWeight: 452.479643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OC)F)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)/C(=C/C2=CN(N=C2C3=CC(=C(C=C3)OC)F)C4=CC=CC=C4)/C#N

InChI

InChI=1S/C27H21FN4O2/c1-18-8-11-22(12-9-18)30-27(33)20(16-29)14-21-17-32(23-6-4-3-5-7-23)31-26(21)19-10-13-25(34-2)24(28)15-19/h3-15,17H,1-2H3,(H,30,33)/b20-14+