
 CHEMBL358124

 42 45  0  0  0  0  0  0  0  0999 V2000
    0.9000    0.1293    0.1805 C   0  0  0  0  0
    2.3508    0.0934    0.0093 N   0  0  0  0  0
    2.8171   -1.2313   -0.4419 C   0  0  0  0  0
    2.5542   -1.5353   -1.9268 C   0  0  0  0  0
    3.1586   -0.4488   -2.8075 C   0  0  0  0  0
    4.0684   -0.6417   -3.8000 C   0  0  0  0  0
    4.5969   -1.9933   -4.1231 C   0  0  0  0  0
    4.5271   -2.5429   -5.4124 C   0  0  0  0  0
    4.0087   -1.7907   -6.6299 C   0  0  0  0  0
    3.1888   -0.6254   -6.4376 O   0  0  0  0  0
    3.9539    0.4346   -6.0202 C   0  0  0  0  0
    4.2104    1.4724   -6.9117 C   0  0  0  0  0
    4.9948    2.5490   -6.4979 C   0  0  0  0  0
    5.5102    2.5840   -5.1998 C   0  0  0  0  0
    5.2298    1.5498   -4.3019 C   0  0  0  0  0
    4.4231    0.4796   -4.7017 C   0  0  0  0  0
    5.0289   -3.7828   -5.6995 N   0  0  0  0  0
    5.6284   -4.4749   -4.7087 C   0  0  0  0  0
    5.7887   -3.9898   -3.4277 C   0  0  0  0  0
    5.2805   -2.7283   -3.1409 C   0  0  0  0  0
    2.5605    0.8932   -2.4013 C   0  0  0  0  0
    2.8207    1.1543   -0.9040 C   0  0  0  0  0
    0.5904    1.0956    0.5942 H   0  0  0  0  0
    0.5826   -0.6309    0.9030 H   0  0  0  0  0
    0.3489   -0.0350   -0.7504 H   0  0  0  0  0
    2.3703   -2.0183    0.1782 H   0  0  0  0  0
    3.8976   -1.2911   -0.2543 H   0  0  0  0  0
    2.9161   -2.5395   -2.1558 H   0  0  0  0  0
    1.4735   -1.5756   -2.1160 H   0  0  0  0  0
    4.8628   -1.5385   -7.2749 H   0  0  0  0  0
    3.3905   -2.4915   -7.2039 H   0  0  0  0  0
    3.8130    1.4374   -7.9213 H   0  0  0  0  0
    5.2091    3.3605   -7.1892 H   0  0  0  0  0
    6.1265    3.4223   -4.8841 H   0  0  0  0  0
    5.6300    1.5886   -3.2919 H   0  0  0  0  0
    6.0004   -5.4559   -4.9874 H   0  0  0  0  0
    6.2999   -4.5730   -2.6708 H   0  0  0  0  0
    5.4188   -2.3168   -2.1436 H   0  0  0  0  0
    2.9548    1.7378   -2.9701 H   0  0  0  0  0
    1.4821    0.8789   -2.6027 H   0  0  0  0  0
    3.9023    1.2728   -0.7516 H   0  0  0  0  0
    2.3798    2.1172   -0.6171 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2 22  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 26  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 21  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 16  1  0  0  0
  7  8  2  0  0  0
  7 20  1  0  0  0
  8  9  1  0  0  0
  8 17  1  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
  9 31  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 13 14  2  0  0  0
 13 33  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 15 16  2  0  0  0
 15 35  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 36  1  0  0  0
 19 20  2  0  0  0
 19 37  1  0  0  0
 20 38  1  0  0  0
 21 22  1  0  0  0
 21 39  1  0  0  0
 21 40  1  0  0  0
 22 41  1  0  0  0
 22 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL358124

>  <PubChem CID>
10266354

>  <Formula>
C19H20N2O

>  <Molecular Weight>
292.382000

>  <IUPAC Name>
11-(1-methylpiperidin-4-ylidene)-5H-[1]benzoxepino[3,4-b]pyridine

>  <XlogP>
2.300

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1CCC(=C2C3=C(COC4=CC=CC=C42)N=CC=C3)CC1

>  <Isomeric SMILES>
CN1CCC(=C2C3=C(COC4=CC=CC=C42)N=CC=C3)CC1

>  <InChI Std. ID>
InChI=1S/C19H20N2O/c1-21-11-8-14(9-12-21)19-15-6-4-10-20-17(15)13-22-18-7-3-2-5-16(18)19/h2-7,10H,8-9,11-13H2,1H3

>  <InChI Key>
HLJPBJNBIQIJGL-UHFFFAOYSA-N

