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

Systemtic Name: (E)-N-(3-acetamido-4-fluoranyl-phenyl)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-N-(3-acetamido-4-fluoro-phenyl)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enamide CAS Name: (E)-N-(3-acetamido-4-fluorophenyl)-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-N-(3-acetamido-4-fluorophenyl)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-(3-acetamido-4-fluoro-phenyl)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]acrylamide Formula: C26H22FN5O2 MolecularWeight: 455.483583

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)NC(=O)C=CC2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4)F

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)NC(=O)/C=C/C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4)F

InChI

InChI=1S/C26H22FN5O2/c1-18(33)29-24-14-22(10-11-23(24)27)30-25(34)12-9-21-17-32(16-19-6-3-2-4-7-19)31-26(21)20-8-5-13-28-15-20/h2-15,17H,16H2,1H3,(H,29,33)(H,30,34)/b12-9+