
 2-(4-fluorobenzyl)-6-(4-methylstyryl)-3(2H)-pyridazinone

 41 43  0  0  0  0  0  0  0  0999 V2000
    1.1986   -1.2136    1.2178 C   0  0  0  0  0
    2.6629   -1.2632    0.8970 C   0  0  0  0  0
    3.1495   -0.7568   -0.3122 C   0  0  0  0  0
    4.5133   -0.8264   -0.6119 C   0  0  0  0  0
    5.4137   -1.4021    0.2926 C   0  0  0  0  0
    4.9222   -1.9327    1.4898 C   0  0  0  0  0
    3.5584   -1.8607    1.7914 C   0  0  0  0  0
    6.8455   -1.5101   -0.0088 C   0  0  0  0  0
    7.5632   -0.4838   -0.4895 C   0  0  0  0  0
    9.0117   -0.6467   -0.7876 C   0  0  0  0  0
    9.5400   -1.8041   -1.0317 N   0  0  0  0  0
   10.8880   -1.8437   -1.3407 N   0  0  0  0  0
   11.7018   -0.7221   -1.4116 C   0  0  0  0  0
   12.8963   -0.7275   -1.6979 O   0  0  0  0  0
   11.0506    0.5693   -1.1095 C   0  0  0  0  0
    9.7520    0.6307   -0.8141 C   0  0  0  0  0
   11.4353   -3.1478   -1.6938 C   0  0  0  0  0
   11.2010   -3.4876   -3.1499 C   0  0  0  0  0
   12.1284   -3.1007   -4.1312 C   0  0  0  0  0
   11.8985   -3.3976   -5.4754 C   0  0  0  0  0
   10.7408   -4.0744   -5.8397 C   0  0  0  0  0
    9.8045   -4.4559   -4.8864 C   0  0  0  0  0
   10.0312   -4.1585   -3.5419 C   0  0  0  0  0
   10.5203   -4.3572   -7.1306 F   0  0  0  0  0
    0.6630   -0.5445    0.5362 H   0  0  0  0  0
    1.0435   -0.8390    2.2349 H   0  0  0  0  0
    0.7616   -2.2133    1.1320 H   0  0  0  0  0
    2.4709   -0.3093   -1.0349 H   0  0  0  0  0
    4.8595   -0.4400   -1.5675 H   0  0  0  0  0
    5.5962   -2.4016    2.2033 H   0  0  0  0  0
    3.1986   -2.2774    2.7298 H   0  0  0  0  0
    7.3092   -2.4719    0.1981 H   0  0  0  0  0
    7.1172    0.4879   -0.6681 H   0  0  0  0  0
   11.6808    1.4479   -1.1497 H   0  0  0  0  0
    9.2549    1.5640   -0.5904 H   0  0  0  0  0
   10.9756   -3.9057   -1.0475 H   0  0  0  0  0
   12.5106   -3.1725   -1.4791 H   0  0  0  0  0
   13.0300   -2.5586   -3.8499 H   0  0  0  0  0
   12.6109   -3.1007   -6.2378 H   0  0  0  0  0
    8.9029   -4.9748   -5.1950 H   0  0  0  0  0
    9.2882   -4.4400   -2.7982 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  4  5  2  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 30  1  0  0  0
  7 31  1  0  0  0
  8  9  2  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
 10 11  2  0  0  0
 10 16  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 17  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  2  0  0  0
 15 34  1  0  0  0
 16 35  1  0  0  0
 17 18  1  0  0  0
 17 36  1  0  0  0
 17 37  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 38  1  0  0  0
 20 21  2  0  0  0
 20 39  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 22 40  1  0  0  0
 23 41  1  0  0  0
M  END

>  <Chemical Name>
2-(4-fluorobenzyl)-6-(4-methylstyryl)-3(2H)-pyridazinone

>  <PubChem CID>
5708066

>  <Formula>
C20H17FN2O

>  <Molecular Weight>
320.367000

>  <IUPAC Name>
2-[(4-fluorophenyl)methyl]-6-[(E)-2-(4-methylphenyl)ethenyl]pyridazin-3-one

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC=C(C=C1)C=CC2=NN(C(=O)C=C2)CC3=CC=C(C=C3)F

>  <Isomeric SMILES>
CC1=CC=C(C=C1)/C=C/C2=NN(C(=O)C=C2)CC3=CC=C(C=C3)F

>  <InChI Std. ID>
InChI=1S/C20H17FN2O/c1-15-2-4-16(5-3-15)8-11-19-12-13-20(24)23(22-19)14-17-6-9-18(21)10-7-17/h2-13H,14H2,1H3/b11-8+

>  <InChI Key>
AAMSNXJTQPSNDL-DHZHZOJOSA-N

