(E)-N-(2-fluoranyl-5-methyl-phenyl)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-N-(2-fluoranyl-5-methyl-phenyl)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-N-(2-fluoro-5-methyl-phenyl)prop-2-enamide CAS Name: (E)-N-(2-fluoro-5-methylphenyl)-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-(2-fluoro-5-methylphenyl)prop-2-enamide Traditional Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-N-(2-fluoro-5-methyl-phenyl)acrylamide Formula: C25H21FN4O MolecularWeight: 412.458843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)F)NC(=O)C=CC2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)F)NC(=O)/C=C/C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H21FN4O/c1-18-9-11-22(26)23(14-18)28-24(31)12-10-21-17-30(16-19-6-3-2-4-7-19)29-25(21)20-8-5-13-27-15-20/h2-15,17H,16H2,1H3,(H,28,31)/b12-10+