(E)-1-(3-fluoranyl-4-methoxy-phenyl)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-en-1-one

Systemtic Name: (E)-1-(3-fluoranyl-4-methoxy-phenyl)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-en-1-one Openeye Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-1-(3-fluoro-4-methoxy-phenyl)prop-2-en-1-one CAS Name: (E)-1-(3-fluoro-4-methoxyphenyl)-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-1-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-1-(3-fluoro-4-methoxy-phenyl)prop-2-en-1-one Formula: C25H20FN3O2 MolecularWeight: 413.443603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=CC2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4)F

InChI

InChI=1S/C25H20FN3O2/c1-31-24-12-10-19(14-22(24)26)23(30)11-9-21-17-29(16-18-6-3-2-4-7-18)28-25(21)20-8-5-13-27-15-20/h2-15,17H,16H2,1H3/b11-9+