
 BP 897

 62 65  0  0  0  0  0  0  0  0999 V2000
    7.8042    3.2466   -3.5423 C   0  0  0  0  0
    7.6434    2.3339   -2.4635 O   0  0  0  0  0
    8.0613    2.7445   -1.2187 C   0  0  0  0  0
    9.1474    3.6356   -1.1029 C   0  0  0  0  0
    9.6143    4.0463    0.1405 C   0  0  0  0  0
    8.9931    3.5807    1.2851 C   0  0  0  0  0
    7.9237    2.6838    1.1830 C   0  0  0  0  0
    7.4420    2.1955   -0.0561 C   0  0  0  0  0
    6.3717    1.2485   -0.0418 N   0  0  0  0  0
    6.5159    0.1834    0.9921 C   0  0  0  0  0
    5.4143   -0.9086    0.9356 C   0  0  0  0  0
    5.1108   -1.4500   -0.4102 N   0  0  0  0  0
    4.7493   -0.2757   -1.2319 C   0  0  0  0  0
    5.8619    0.7837   -1.3514 C   0  0  0  0  0
    6.2747   -2.2015   -0.9217 C   0  0  0  0  0
    6.1051   -2.7618   -2.3408 C   0  0  0  0  0
    7.3701   -3.5180   -2.7722 C   0  0  0  0  0
    7.2531   -4.1210   -4.1712 C   0  0  0  0  0
    7.0718   -3.1133   -5.1950 N   0  0  0  0  0
    8.1336   -2.4730   -5.7993 C   0  0  0  0  0
    9.3087   -2.7305   -5.5660 O   0  0  0  0  0
    7.7788   -1.4427   -6.8124 C   0  0  0  0  0
    6.6247   -0.6580   -6.6869 C   0  0  0  0  0
    6.2911    0.2864   -7.6696 C   0  0  0  0  0
    5.1271    1.0665   -7.5656 C   0  0  0  0  0
    4.7981    1.9942   -8.5551 C   0  0  0  0  0
    5.6306    2.1573   -9.6591 C   0  0  0  0  0
    6.7945    1.3966   -9.7735 C   0  0  0  0  0
    7.1399    0.4577   -8.7889 C   0  0  0  0  0
    8.3081   -0.3140   -8.8874 C   0  0  0  0  0
    8.6297   -1.2538   -7.9054 C   0  0  0  0  0
    7.1577    2.9104   -4.3591 H   0  0  0  0  0
    8.8343    3.2315   -3.9105 H   0  0  0  0  0
    7.4945    4.2610   -3.2688 H   0  0  0  0  0
    9.6656    4.0070   -1.9816 H   0  0  0  0  0
   10.4555    4.7294    0.2103 H   0  0  0  0  0
    9.3341    3.9070    2.2641 H   0  0  0  0  0
    7.4569    2.3834    2.1154 H   0  0  0  0  0
    6.4483    0.6132    1.9969 H   0  0  0  0  0
    7.5007   -0.2906    0.8978 H   0  0  0  0  0
    5.6822   -1.7283    1.6147 H   0  0  0  0  0
    4.4869   -0.4878    1.3487 H   0  0  0  0  0
    4.4306   -0.5924   -2.2314 H   0  0  0  0  0
    3.8575    0.1944   -0.7942 H   0  0  0  0  0
    6.6695    0.3383   -1.9425 H   0  0  0  0  0
    5.4315    1.6317   -1.8972 H   0  0  0  0  0
    6.4464   -3.0512   -0.2477 H   0  0  0  0  0
    7.1917   -1.6019   -0.8960 H   0  0  0  0  0
    5.9263   -1.9481   -3.0512 H   0  0  0  0  0
    5.2372   -3.4303   -2.3775 H   0  0  0  0  0
    7.5700   -4.3256   -2.0584 H   0  0  0  0  0
    8.2300   -2.8372   -2.7367 H   0  0  0  0  0
    6.3956   -4.7994   -4.2255 H   0  0  0  0  0
    8.1560   -4.6988   -4.3966 H   0  0  0  0  0
    6.1307   -2.9334   -5.5152 H   0  0  0  0  0
    5.9876   -0.7640   -5.8114 H   0  0  0  0  0
    4.4612    0.9542   -6.7124 H   0  0  0  0  0
    3.8912    2.5864   -8.4651 H   0  0  0  0  0
    5.3736    2.8777  -10.4312 H   0  0  0  0  0
    7.4325    1.5410  -10.6435 H   0  0  0  0  0
    8.9803   -0.1909   -9.7359 H   0  0  0  0  0
    9.5379   -1.8452   -7.9980 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  5  6  2  0  0  0
  5 36  1  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
  7  8  2  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 39  1  0  0  0
 10 40  1  0  0  0
 11 12  1  0  0  0
 11 41  1  0  0  0
 11 42  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  1  0  0  0
 13 43  1  0  0  0
 13 44  1  0  0  0
 14 45  1  0  0  0
 14 46  1  0  0  0
 15 16  1  0  0  0
 15 47  1  0  0  0
 15 48  1  0  0  0
 16 17  1  0  0  0
 16 49  1  0  0  0
 16 50  1  0  0  0
 17 18  1  0  0  0
 17 51  1  0  0  0
 17 52  1  0  0  0
 18 19  1  0  0  0
 18 53  1  0  0  0
 18 54  1  0  0  0
 19 20  1  0  0  0
 19 55  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 31  1  0  0  0
 22 23  2  0  0  0
 23 24  1  0  0  0
 23 56  1  0  0  0
 24 29  1  0  0  0
 24 25  2  0  0  0
 25 26  1  0  0  0
 25 57  1  0  0  0
 26 27  2  0  0  0
 26 58  1  0  0  0
 27 28  1  0  0  0
 27 59  1  0  0  0
 28 29  2  0  0  0
 28 60  1  0  0  0
 29 30  1  0  0  0
 30 31  2  0  0  0
 30 61  1  0  0  0
 31 62  1  0  0  0
M  END

>  <Chemical Name>
BP 897

>  <PubChem CID>
3038495

>  <Formula>
C26H31N3O2

>  <Molecular Weight>
417.553000

>  <IUPAC Name>
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC4=CC=CC=C4C=C3

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC4=CC=CC=C4C=C3

>  <InChI Std. ID>
InChI=1S/C26H31N3O2/c1-31-25-11-5-4-10-24(25)29-18-16-28(17-19-29)15-7-6-14-27-26(30)23-13-12-21-8-2-3-9-22(21)20-23/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30)

>  <InChI Key>
MNHDKMDLOJSCGN-UHFFFAOYSA-N

