
 SMR000146505

 50 51  0  0  0  0  0  0  0  0999 V2000
    0.3658    0.9329    0.0292 C   0  0  0  0  0
   -1.1146    0.9821    0.4567 C   0  0  0  0  0
   -1.7541   -0.2813    0.0904 N   0  0  0  0  0
   -1.1095   -1.4801    0.6269 C   0  0  0  0  0
    0.3543   -1.4901    0.1702 C   0  0  0  0  0
    1.0644   -0.2534    0.5790 N   0  0  0  0  0
    1.3139   -0.1078    2.0364 C   0  0  0  0  0
    2.1310   -1.2653    2.6273 C   0  0  0  0  0
    2.4128   -1.0395    4.1181 C   0  0  0  0  0
    3.1845   -2.2232    4.6962 C   0  0  0  0  0
    3.3976   -2.0340    6.0480 O   0  0  0  0  0
    4.0537   -2.9096    6.8559 C   0  0  0  0  0
    4.6308   -4.1016    6.3634 C   0  0  0  0  0
    5.2978   -4.9705    7.2311 C   0  0  0  0  0
    5.3959   -4.6660    8.5906 C   0  0  0  0  0
    4.8260   -3.4901    9.0858 C   0  0  0  0  0
    4.1585   -2.6153    8.2219 C   0  0  0  0  0
    6.0440   -5.5115    9.4289 F   0  0  0  0  0
   -2.8661   -0.3980   -0.7280 C   0  0  0  0  0
   -3.2871   -1.5164   -0.9973 O   0  0  0  0  0
   -3.6249    0.7506   -1.3155 C   0  0  0  0  0
   -4.7153    0.6097   -2.1581 C   0  0  0  0  0
   -5.1311    1.8840   -2.4652 C   0  0  0  0  0
   -4.2806    2.7351   -1.7966 C   0  0  0  0  0
   -3.4006    2.0302   -1.1237 O   0  0  0  0  0
    1.9588   -0.3264   -3.4174 Cl  0  0  0  0  0
    0.4052    0.8906   -1.0816 H   0  0  0  0  0
    0.8842    1.8689    0.3316 H   0  0  0  0  0
   -1.5438    1.8806    0.0131 H   0  0  0  0  0
   -1.1917    1.1196    1.5542 H   0  0  0  0  0
   -1.5898   -2.4257    0.2983 H   0  0  0  0  0
   -1.1621   -1.4660    1.7358 H   0  0  0  0  0
    0.8736   -2.3995    0.5273 H   0  0  0  0  0
    0.3710   -1.5626   -0.9401 H   0  0  0  0  0
    0.3682   -0.0195    2.6069 H   0  0  0  0  0
    1.8963    0.8266    2.2001 H   0  0  0  0  0
    3.0901   -1.3619    2.0730 H   0  0  0  0  0
    1.5605   -2.2120    2.5436 H   0  0  0  0  0
    1.4488   -0.9367    4.6643 H   0  0  0  0  0
    3.0034   -0.1073    4.2568 H   0  0  0  0  0
    4.1598   -2.3134    4.1692 H   0  0  0  0  0
    2.5906   -3.1526    4.5472 H   0  0  0  0  0
    4.5696   -4.3619    5.3157 H   0  0  0  0  0
    5.7392   -5.8812    6.8466 H   0  0  0  0  0
    4.9014   -3.2549   10.1395 H   0  0  0  0  0
    3.7199   -1.7068    8.6149 H   0  0  0  0  0
   -5.1582   -0.3135   -2.5087 H   0  0  0  0  0
   -5.9597    2.1624   -3.1020 H   0  0  0  0  0
   -4.3164    3.8160   -1.8098 H   0  0  0  0  0
    2.6314    0.2068   -2.3422 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  8 38  1  0  0  0
  9 10  1  0  0  0
  9 39  1  0  0  0
  9 40  1  0  0  0
 10 11  1  0  0  0
 10 41  1  0  0  0
 10 42  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 43  1  0  0  0
 14 15  2  0  0  0
 14 44  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 16 45  1  0  0  0
 17 46  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 22  2  0  0  0
 21 25  1  0  0  0
 22 23  1  0  0  0
 22 47  1  0  0  0
 23 24  2  0  0  0
 23 48  1  0  0  0
 24 25  1  0  0  0
 24 49  1  0  0  0
 26 50  1  0  0  0
M  END

>  <Chemical Name>
SMR000146505

>  <PubChem CID>
9550614

>  <Formula>
C19H24ClFN2O3

>  <Molecular Weight>
382.860000

>  <IUPAC Name>
[4-[4-(4-fluorophenoxy)butyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCN1CCCCOC2=CC=C(C=C2)F)C(=O)C3=CC=CO3.Cl

>  <Isomeric SMILES>
C1CN(CCN1CCCCOC2=CC=C(C=C2)F)C(=O)C3=CC=CO3.Cl

>  <InChI Std. ID>
InChI=1S/C19H23FN2O3.ClH/c20-16-5-7-17(8-6-16)24-14-2-1-9-21-10-12-22(13-11-21)19(23)18-4-3-15-25-18;/h3-8,15H,1-2,9-14H2;1H

>  <InChI Key>
FXONMFRWZBRIRL-UHFFFAOYSA-N

