
 CHEMBL140919

 42 44  0  0  0  0  0  0  0  0999 V2000
    1.1701    0.0134    0.9535 C   0  0  0  0  0
    2.2639   -0.0289   -0.0814 C   0  0  0  0  0
    2.4663   -1.0614   -0.7191 O   0  0  0  0  0
    3.0090    1.1268   -0.2691 N   0  0  0  0  0
    4.2053    1.0579   -1.1162 C   0  0  0  0  0
    4.3968    2.3225   -1.9612 C   0  0  0  0  0
    4.3534    3.5696   -1.0892 C   0  0  0  0  0
    5.3397    4.5006   -1.0081 C   0  0  0  0  0
    6.5579    4.3660   -1.8371 C   0  0  0  0  0
    7.6770    3.6867   -1.3377 C   0  0  0  0  0
    8.8246    3.5489   -2.1223 C   0  0  0  0  0
    8.8565    4.0973   -3.4032 C   0  0  0  0  0
    7.7518    4.7822   -3.9075 C   0  0  0  0  0
    6.6016    4.9152   -3.1256 C   0  0  0  0  0
   10.2697    3.9289   -4.3704 Cl  0  0  0  0  0
    5.2058    5.6278   -0.0586 C   0  0  0  0  0
    4.5954    6.8183   -0.4451 C   0  0  0  0  0
    4.4640    7.8324    0.4986 C   0  0  0  0  0
    4.9485    7.6316    1.7861 C   0  0  0  0  0
    5.5451    6.4154    2.0812 C   0  0  0  0  0
    5.6771    5.4079    1.1926 N   0  0  0  0  0
    3.0646    3.6083   -0.2785 C   0  0  0  0  0
    2.8983    2.3344    0.5571 C   0  0  0  0  0
    0.4488    0.8033    0.7246 H   0  0  0  0  0
    1.6025    0.1582    1.9485 H   0  0  0  0  0
    0.6325   -0.9407    0.9500 H   0  0  0  0  0
    4.1640    0.1842   -1.7755 H   0  0  0  0  0
    5.0626    0.9151   -0.4450 H   0  0  0  0  0
    5.3285    2.2221   -2.5261 H   0  0  0  0  0
    3.5897    2.3922   -2.7024 H   0  0  0  0  0
    7.6561    3.2645   -0.3343 H   0  0  0  0  0
    9.6861    3.0169   -1.7279 H   0  0  0  0  0
    7.7789    5.2120   -4.9055 H   0  0  0  0  0
    5.7423    5.4466   -3.5266 H   0  0  0  0  0
    4.2211    6.9500   -1.4542 H   0  0  0  0  0
    3.9876    8.7715    0.2315 H   0  0  0  0  0
    4.8650    8.4034    2.5430 H   0  0  0  0  0
    5.9425    6.2136    3.0716 H   0  0  0  0  0
    2.9947    4.4724    0.3881 H   0  0  0  0  0
    2.2255    3.6947   -0.9812 H   0  0  0  0  0
    3.6752    2.2736    1.3284 H   0  0  0  0  0
    1.9346    2.3744    1.0700 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4 23  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  6 30  1  0  0  0
  7 22  1  0  0  0
  7  8  2  0  0  0
  8 16  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 31  1  0  0  0
 11 12  2  0  0  0
 11 32  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 33  1  0  0  0
 14 34  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 35  1  0  0  0
 18 19  2  0  0  0
 18 36  1  0  0  0
 19 20  1  0  0  0
 19 37  1  0  0  0
 20 21  2  0  0  0
 20 38  1  0  0  0
 22 23  1  0  0  0
 22 39  1  0  0  0
 22 40  1  0  0  0
 23 41  1  0  0  0
 23 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL140919

>  <PubChem CID>
14885642

>  <Formula>
C19H19ClN2O

>  <Molecular Weight>
326.824000

>  <IUPAC Name>
1-[4-[(4-chlorophenyl)-pyridin-2-ylmethylidene]piperidin-1-yl]ethanone

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(=O)N1CCC(=C(C2=CC=C(C=C2)Cl)C3=CC=CC=N3)CC1

>  <Isomeric SMILES>
CC(=O)N1CCC(=C(C2=CC=C(C=C2)Cl)C3=CC=CC=N3)CC1

>  <InChI Std. ID>
InChI=1S/C19H19ClN2O/c1-14(23)22-12-9-16(10-13-22)19(18-4-2-3-11-21-18)15-5-7-17(20)8-6-15/h2-8,11H,9-10,12-13H2,1H3

>  <InChI Key>
BUXBWYJPEXONLX-UHFFFAOYSA-N

