
 Amperozide

 58 60  0  0  0  0  0  0  0  0999 V2000
   10.1571    3.5244   -6.3805 C   0  0  0  0  0
    8.6779    3.7046   -6.6779 C   0  0  0  0  0
    7.9290    4.0708   -5.4928 N   0  0  0  0  0
    7.9145    5.3598   -5.0262 C   0  0  0  0  0
    8.5011    6.2647   -5.6160 O   0  0  0  0  0
    7.1957    5.5693   -3.8577 N   0  0  0  0  0
    7.4126    6.8596   -3.1950 C   0  0  0  0  0
    6.3369    7.2291   -2.1553 C   0  0  0  0  0
    5.9726    6.1482   -1.2076 N   0  0  0  0  0
    5.5797    4.9757   -2.0140 C   0  0  0  0  0
    6.6351    4.4966   -3.0277 C   0  0  0  0  0
    7.0589    5.8165   -0.2704 C   0  0  0  0  0
    7.2033    6.8707    0.8351 C   0  0  0  0  0
    8.3860    6.6269    1.7914 C   0  0  0  0  0
    9.7800    6.4846    1.1202 C   0  0  0  0  0
   10.1437    7.5916    0.1336 C   0  0  0  0  0
    9.8009    8.9373    0.3473 C   0  0  0  0  0
   10.0715    9.9032   -0.6238 C   0  0  0  0  0
   10.7102    9.5361   -1.8006 C   0  0  0  0  0
   11.1003    8.2223   -2.0188 C   0  0  0  0  0
   10.8248    7.2537   -1.0516 C   0  0  0  0  0
   10.9506   10.4617   -2.7374 F   0  0  0  0  0
   10.8839    6.2404    2.1487 C   0  0  0  0  0
   11.1467    7.1519    3.1860 C   0  0  0  0  0
   12.1607    6.8984    4.1143 C   0  0  0  0  0
   12.9174    5.7404    4.0062 C   0  0  0  0  0
   12.6858    4.8282    2.9864 C   0  0  0  0  0
   11.6721    5.0785    2.0581 C   0  0  0  0  0
   13.8882    5.4988    4.8991 F   0  0  0  0  0
   10.6881    3.1907   -7.2770 H   0  0  0  0  0
   10.3094    2.7788   -5.5927 H   0  0  0  0  0
   10.6118    4.4614   -6.0433 H   0  0  0  0  0
    8.2540    2.7663   -7.0475 H   0  0  0  0  0
    8.5379    4.4717   -7.4466 H   0  0  0  0  0
    7.7402    3.3292   -4.8433 H   0  0  0  0  0
    7.4652    7.6553   -3.9476 H   0  0  0  0  0
    8.3969    6.8081   -2.7201 H   0  0  0  0  0
    6.6431    8.1353   -1.6224 H   0  0  0  0  0
    5.4237    7.5145   -2.6949 H   0  0  0  0  0
    5.2969    4.1437   -1.3575 H   0  0  0  0  0
    4.6640    5.2363   -2.5624 H   0  0  0  0  0
    7.4752    4.0190   -2.5101 H   0  0  0  0  0
    6.1701    3.7437   -3.6711 H   0  0  0  0  0
    8.0004    5.6681   -0.8044 H   0  0  0  0  0
    6.8321    4.8647    0.2275 H   0  0  0  0  0
    6.2817    6.8856    1.4322 H   0  0  0  0  0
    7.2924    7.8734    0.4092 H   0  0  0  0  0
    8.1828    5.7154    2.3701 H   0  0  0  0  0
    8.3917    7.4441    2.5239 H   0  0  0  0  0
    9.7092    5.5607    0.5300 H   0  0  0  0  0
    9.2930    9.2459    1.2579 H   0  0  0  0  0
    9.7788   10.9382   -0.4742 H   0  0  0  0  0
   11.6010    7.9565   -2.9443 H   0  0  0  0  0
   11.1263    6.2257   -1.2408 H   0  0  0  0  0
   10.5699    8.0681    3.2800 H   0  0  0  0  0
   12.3643    7.5997    4.9170 H   0  0  0  0  0
   13.2927    3.9328    2.9187 H   0  0  0  0  0
   11.5043    4.3559    1.2622 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 11  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  8 39  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  1  0  0  0
 10 40  1  0  0  0
 10 41  1  0  0  0
 11 42  1  0  0  0
 11 43  1  0  0  0
 12 13  1  0  0  0
 12 44  1  0  0  0
 12 45  1  0  0  0
 13 14  1  0  0  0
 13 46  1  0  0  0
 13 47  1  0  0  0
 14 15  1  0  0  0
 14 48  1  0  0  0
 14 49  1  0  0  0
 15 23  1  0  0  0
 15 16  1  0  0  0
 15 50  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 51  1  0  0  0
 18 19  2  0  0  0
 18 52  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  2  0  0  0
 20 53  1  0  0  0
 21 54  1  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 55  1  0  0  0
 25 26  2  0  0  0
 25 56  1  0  0  0
 26 27  1  0  0  0
 26 29  1  0  0  0
 27 28  2  0  0  0
 27 57  1  0  0  0
 28 58  1  0  0  0
M  END

>  <Chemical Name>
Amperozide

>  <PubChem CID>
73333

>  <Formula>
C23H29F2N3O

>  <Molecular Weight>
401.502000

>  <IUPAC Name>
4-[4,4-bis(4-fluorophenyl)butyl]-N-ethylpiperazine-1-carboxamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCNC(=O)N1CCN(CC1)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

>  <Isomeric SMILES>
CCNC(=O)N1CCN(CC1)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

>  <InChI Std. ID>
InChI=1S/C23H29F2N3O/c1-2-26-23(29)28-16-14-27(15-17-28)13-3-4-22(18-5-9-20(24)10-6-18)19-7-11-21(25)12-8-19/h5-12,22H,2-4,13-17H2,1H3,(H,26,29)

>  <InChI Key>
NNAIYOXJNVGUOM-UHFFFAOYSA-N

