
 CHEMBL1683908

 42 44  0  0  0  0  0  0  0  0999 V2000
    1.8437    0.2377    0.4291 C   0  0  0  0  0
    0.4260   -0.2887    0.6275 C   0  0  0  0  0
    0.4201   -1.7408    0.8023 N   0  0  0  0  0
    1.2139   -2.1302    1.9669 C   0  0  0  0  0
    2.6690   -1.6939    1.8100 C   0  0  0  0  0
    2.7847   -0.1880    1.5626 C   0  0  0  0  0
    2.4908    0.4805    2.8121 O   0  0  0  0  0
    2.8895    1.7811    2.9026 C   0  0  0  0  0
    3.3584    2.4093    1.9644 O   0  0  0  0  0
    2.6996    2.2084    4.1884 N   0  0  0  0  0
    2.8795    3.5096    4.7200 C   0  0  0  0  0
    3.1654    4.5936    3.8713 C   0  0  0  0  0
    3.3855    5.8774    4.3723 C   0  0  0  0  0
    3.3144    6.1064    5.7357 C   0  0  0  0  0
    3.0022    5.0523    6.5927 C   0  0  0  0  0
    2.7735    3.7362    6.1199 C   0  0  0  0  0
    2.4467    2.6920    7.1274 C   0  0  0  0  0
    3.2063    2.5722    8.3087 C   0  0  0  0  0
    2.8851    1.6343    9.2955 C   0  0  0  0  0
    1.8097    0.7722    9.1099 C   0  0  0  0  0
    1.0424    0.8671    7.9523 C   0  0  0  0  0
    1.3443    1.8321    6.9842 C   0  0  0  0  0
    2.2379   -0.1474   -0.5207 H   0  0  0  0  0
    1.7980    1.3274    0.3363 H   0  0  0  0  0
   -0.1717   -0.0403   -0.2567 H   0  0  0  0  0
   -0.0514    0.2012    1.4840 H   0  0  0  0  0
   -0.5410   -2.0595    0.9256 H   0  0  0  0  0
    0.7785   -1.7093    2.8810 H   0  0  0  0  0
    1.1772   -3.2201    2.0691 H   0  0  0  0  0
    3.2207   -1.9695    2.7165 H   0  0  0  0  0
    3.1217   -2.2365    0.9704 H   0  0  0  0  0
    3.8241    0.0349    1.2896 H   0  0  0  0  0
    2.4759    1.4593    4.8267 H   0  0  0  0  0
    3.2196    4.4770    2.7937 H   0  0  0  0  0
    3.6125    6.6923    3.6893 H   0  0  0  0  0
    3.4926    7.1016    6.1341 H   0  0  0  0  0
    2.9278    5.2700    7.6571 H   0  0  0  0  0
    4.0611    3.2251    8.4798 H   0  0  0  0  0
    3.4761    1.5823   10.2079 H   0  0  0  0  0
    1.5631    0.0381    9.8728 H   0  0  0  0  0
    0.1958    0.2001    7.8094 H   0  0  0  0  0
    0.6914    1.9140    6.1179 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  7  8  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 34  1  0  0  0
 13 14  2  0  0  0
 13 35  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 15 16  2  0  0  0
 15 37  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 38  1  0  0  0
 19 20  2  0  0  0
 19 39  1  0  0  0
 20 21  1  0  0  0
 20 40  1  0  0  0
 21 22  2  0  0  0
 21 41  1  0  0  0
 22 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1683908

>  <PubChem CID>
10851461

>  <Formula>
C18H20N2O2

>  <Molecular Weight>
296.370000

>  <IUPAC Name>
piperidin-4-yl N-(2-phenylphenyl)carbamate

>  <XlogP>
2.500

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CNCCC1OC(=O)NC2=CC=CC=C2C3=CC=CC=C3

>  <Isomeric SMILES>
C1CNCCC1OC(=O)NC2=CC=CC=C2C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C18H20N2O2/c21-18(22-15-10-12-19-13-11-15)20-17-9-5-4-8-16(17)14-6-2-1-3-7-14/h1-9,15,19H,10-13H2,(H,20,21)

>  <InChI Key>
AGZCCVMWUZINGV-UHFFFAOYSA-N

