(E)-3-(5-bromanyl-2-fluoranyl-phenyl)-1-(1-methylpyrazol-3-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(5-bromanyl-2-fluoranyl-phenyl)-1-(1-methylpyrazol-3-yl)prop-2-en-1-one Openeye Name: (E)-3-(5-bromo-2-fluoro-phenyl)-1-(1-methylpyrazol-3-yl)prop-2-en-1-one CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-1-(1-methyl-3-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-3-(5-bromo-2-fluorophenyl)-1-(1-methylpyrazol-3-yl)prop-2-en-1-one Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)-1-(1-methylpyrazol-3-yl)prop-2-en-1-one Formula: C13H10BrFN2O MolecularWeight: 309.133703

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C(=O)C=CC2=C(C=CC(=C2)Br)F

Isomeric SMILES

CN1C=CC(=N1)C(=O)/C=C/C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C13H10BrFN2O/c1-17-7-6-12(16-17)13(18)5-2-9-8-10(14)3-4-11(9)15/h2-8H,1H3/b5-2+