
 SR-02000000358

 46 49  0  0  0  0  0  0  0  0999 V2000
    0.6640    0.0819   -0.0032 C   0  0  0  0  0
    2.1315    0.1292   -0.3033 C   0  0  0  0  0
    2.8588   -1.0338   -0.5515 C   0  0  0  0  0
    4.2316   -0.9674   -0.8255 C   0  0  0  0  0
    4.9256    0.2574   -0.8592 C   0  0  0  0  0
    4.1775    1.4128   -0.5935 C   0  0  0  0  0
    2.8029    1.3521   -0.3224 C   0  0  0  0  0
    6.3426    0.2808   -1.1312 N   0  0  0  0  0
    7.1022    1.4516   -1.2574 C   0  0  0  0  0
    6.6708    2.6041   -1.2894 O   0  0  0  0  0
    8.5887    1.2538   -1.3708 C   0  0  0  0  0
    9.1362    0.0506   -1.6080 C   0  0  0  0  0
    8.1600   -1.0536   -1.5367 C   0  0  0  0  0
    6.8962   -0.9725   -1.2987 N   0  0  0  0  0
   10.5788   -0.1880   -1.8012 C   0  0  0  0  0
   11.0798   -1.2668   -2.7279 C   0  0  0  0  0
   11.1855    0.1713   -3.1372 C   0  0  0  0  0
    9.4103    2.3793   -1.2826 O   0  0  0  0  0
    9.3857    3.0878   -0.1001 C   0  0  0  0  0
    9.5628    4.4662   -0.1946 C   0  0  0  0  0
    9.5637    5.2488    0.9625 C   0  0  0  0  0
    9.4125    4.6604    2.2207 C   0  0  0  0  0
    9.2432    3.2784    2.3128 C   0  0  0  0  0
    9.2384    2.4911    1.1554 C   0  0  0  0  0
    9.4324    5.5348    3.2722 O   0  0  0  0  0
    9.6052    4.9676    4.5651 C   0  0  0  0  0
    0.2663   -0.9332   -0.1035 H   0  0  0  0  0
    0.1149    0.7249   -0.6987 H   0  0  0  0  0
    0.4785    0.4193    1.0216 H   0  0  0  0  0
    2.3706   -2.0053   -0.5364 H   0  0  0  0  0
    4.7514   -1.9037   -1.0138 H   0  0  0  0  0
    4.6258    2.4001   -0.5754 H   0  0  0  0  0
    2.2651    2.2770   -0.1238 H   0  0  0  0  0
    8.5833   -2.0629   -1.6717 H   0  0  0  0  0
   11.1824    0.0185   -0.9205 H   0  0  0  0  0
   10.3814   -1.8885   -3.2761 H   0  0  0  0  0
   11.9961   -1.7809   -2.4553 H   0  0  0  0  0
   12.1672    0.6321   -3.1401 H   0  0  0  0  0
   10.5403    0.5158   -3.9388 H   0  0  0  0  0
    9.6806    4.9365   -1.1665 H   0  0  0  0  0
    9.6853    6.3263    0.8829 H   0  0  0  0  0
    9.1014    2.7834    3.2675 H   0  0  0  0  0
    9.1166    1.4174    1.2589 H   0  0  0  0  0
    9.7050    5.7898    5.2802 H   0  0  0  0  0
   10.5220    4.3700    4.6139 H   0  0  0  0  0
    8.7320    4.3765    4.8595 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  4  5  2  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 32  1  0  0  0
  7 33  1  0  0  0
  8 14  1  0  0  0
  8  9  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
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 13 34  1  0  0  0
 15 17  1  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
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 18 19  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
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 26 46  1  0  0  0
M  END

>  <Chemical Name>
SR-02000000358

>  <PubChem CID>
46172939

>  <Formula>
C21H20N2O3

>  <Molecular Weight>
348.402000

>  <IUPAC Name>
5-cyclopropyl-4-(4-methoxyphenoxy)-2-(4-methylphenyl)pyridazin-3-one

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC=C(C=C1)N2C(=O)C(=C(C=N2)C3CC3)OC4=CC=C(C=C4)OC

>  <Isomeric SMILES>
CC1=CC=C(C=C1)N2C(=O)C(=C(C=N2)C3CC3)OC4=CC=C(C=C4)OC

>  <InChI Std. ID>
InChI=1S/C21H20N2O3/c1-14-3-7-16(8-4-14)23-21(24)20(19(13-22-23)15-5-6-15)26-18-11-9-17(25-2)10-12-18/h3-4,7-13,15H,5-6H2,1-2H3

>  <InChI Key>
BOSONUOCNBJILM-UHFFFAOYSA-N

