
 ciproxifan

 38 40  0  0  0  0  0  0  0  0999 V2000
   -0.9258   -2.3049    2.2173 C   0  0  0  0  0
   -1.5469   -0.9835    2.5649 C   0  0  0  0  0
   -0.0512   -1.0826    2.3638 C   0  0  0  0  0
    0.5827   -0.4707    1.1577 C   0  0  0  0  0
   -0.0994   -0.1022    0.2078 O   0  0  0  0  0
    2.0577   -0.2944    1.1315 C   0  0  0  0  0
    2.5910    0.7274    0.3362 C   0  0  0  0  0
    3.9717    0.9545    0.3036 C   0  0  0  0  0
    4.8285    0.1528    1.0560 C   0  0  0  0  0
    4.2952   -0.8834    1.8290 C   0  0  0  0  0
    2.9165   -1.1120    1.8692 C   0  0  0  0  0
    6.1874    0.2721    1.1233 O   0  0  0  0  0
    6.7925    1.3218    0.3708 C   0  0  0  0  0
    8.3011    1.2898    0.6076 C   0  0  0  0  0
    8.9235   -0.0364    0.1610 C   0  0  0  0  0
   10.3995   -0.0469    0.3548 C   0  0  0  0  0
   11.1828    0.0360    1.4868 C   0  0  0  0  0
   12.5134   -0.0331    1.1688 N   0  0  0  0  0
   12.5512   -0.1679   -0.1362 C   0  0  0  0  0
   11.2968   -0.1808   -0.6753 N   0  0  0  0  0
   -0.8795   -3.0621    2.9913 H   0  0  0  0  0
   -1.1077   -2.6951    1.2220 H   0  0  0  0  0
   -1.9134   -0.8380    3.5747 H   0  0  0  0  0
   -2.1393   -0.4852    1.8049 H   0  0  0  0  0
    0.5302   -1.0021    3.2783 H   0  0  0  0  0
    1.9293    1.3604   -0.2537 H   0  0  0  0  0
    4.3379    1.7652   -0.3172 H   0  0  0  0  0
    4.9633   -1.5193    2.4064 H   0  0  0  0  0
    2.5398   -1.9363    2.4679 H   0  0  0  0  0
    6.4068    2.2927    0.7039 H   0  0  0  0  0
    6.5875    1.1896   -0.6985 H   0  0  0  0  0
    8.4979    1.4382    1.6773 H   0  0  0  0  0
    8.7685    2.1255    0.0722 H   0  0  0  0  0
    8.6831   -0.2154   -0.8945 H   0  0  0  0  0
    8.4914   -0.8694    0.7290 H   0  0  0  0  0
   10.8572    0.1416    2.5139 H   0  0  0  0  0
   13.4449   -0.2618   -0.7383 H   0  0  0  0  0
   11.0779   -0.2817   -1.6565 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 26  1  0  0  0
  8  9  2  0  0  0
  8 27  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  2  0  0  0
 10 28  1  0  0  0
 11 29  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 30  1  0  0  0
 13 31  1  0  0  0
 14 15  1  0  0  0
 14 32  1  0  0  0
 14 33  1  0  0  0
 15 16  1  0  0  0
 15 34  1  0  0  0
 15 35  1  0  0  0
 16 17  2  0  0  0
 16 20  1  0  0  0
 17 18  1  0  0  0
 17 36  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 37  1  0  0  0
 20 38  1  0  0  0
M  END

>  <Chemical Name>
ciproxifan

>  <PubChem CID>
6422124

>  <Formula>
C16H18N2O2

>  <Molecular Weight>
270.332000

>  <IUPAC Name>
cyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanone

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CC1C(=O)C2=CC=C(C=C2)OCCCC3=CN=CN3

>  <Isomeric SMILES>
C1CC1C(=O)C2=CC=C(C=C2)OCCCC3=CN=CN3

>  <InChI Std. ID>
InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)

>  <InChI Key>
ACQBHJXEAYTHCY-UHFFFAOYSA-N

