
 CHEMBL368413

 43 46  0  0  0  0  0  0  0  0999 V2000
    0.8903    0.0415    0.2498 C   0  0  0  0  0
    2.3357    0.0310    0.0370 N   0  0  0  0  0
    2.8055   -1.2717   -0.4752 C   0  0  0  0  0
    2.5084   -1.5284   -1.9636 C   0  0  0  0  0
    3.0829   -0.3990   -2.8134 C   0  0  0  0  0
    4.0007   -0.5543   -3.8056 C   0  0  0  0  0
    4.4781   -1.9185   -4.1487 C   0  0  0  0  0
    5.3151   -2.6325   -3.2799 C   0  0  0  0  0
    5.7193   -3.9284   -3.5987 C   0  0  0  0  0
    5.3064   -4.5114   -4.7955 C   0  0  0  0  0
    4.5038   -3.7947   -5.6847 C   0  0  0  0  0
    4.0923   -2.4923   -5.3730 C   0  0  0  0  0
    3.2756   -1.6778   -6.3472 C   0  0  0  0  0
    4.0634   -0.4769   -6.8725 C   0  0  0  0  0
    4.4191    0.5858   -5.9396 N   0  0  0  0  0
    4.4514    0.5798   -4.5561 C   0  0  0  0  0
    5.0227    1.7814   -4.1638 C   0  0  0  0  0
    5.2537    2.5653   -5.3137 C   0  0  0  0  0
    4.8702    1.8102   -6.3944 C   0  0  0  0  0
    2.4665    0.9127   -2.3457 C   0  0  0  0  0
    2.7686    1.1295   -0.8516 C   0  0  0  0  0
    0.5788    0.9926    0.6951 H   0  0  0  0  0
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    1.4253   -1.5797   -2.1312 H   0  0  0  0  0
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    5.6204   -5.5227   -5.0416 H   0  0  0  0  0
    4.2103   -4.2582   -6.6230 H   0  0  0  0  0
    2.3361   -1.3632   -5.8776 H   0  0  0  0  0
    2.9925   -2.3070   -7.2006 H   0  0  0  0  0
    3.4732    0.0001   -7.6645 H   0  0  0  0  0
    5.0102   -0.8096   -7.3180 H   0  0  0  0  0
    5.2320    2.0677   -3.1409 H   0  0  0  0  0
    5.6688    3.5636   -5.3511 H   0  0  0  0  0
    4.9031    2.0293   -7.4541 H   0  0  0  0  0
    2.8042    1.7862   -2.9045 H   0  0  0  0  0
    1.3827    0.8713   -2.5108 H   0  0  0  0  0
    3.8523    1.2576   -0.7246 H   0  0  0  0  0
    2.3228    2.0753   -0.5197 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2 21  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  5 20  1  0  0  0
  5  6  2  0  0  0
  6 16  1  0  0  0
  6  7  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
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  9 10  2  0  0  0
  9 30  1  0  0  0
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 21 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL368413

>  <PubChem CID>
12909383

>  <Formula>
C19H22N2

>  <Molecular Weight>
278.399000

>  <IUPAC Name>
11-(1-methylpiperidin-4-ylidene)-5,6-dihydropyrrolo[2,1-b][3]benzazepine

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CN1CCC(=C2C3=CC=CC=C3CCN4C2=CC=C4)CC1

>  <Isomeric SMILES>
CN1CCC(=C2C3=CC=CC=C3CCN4C2=CC=C4)CC1

>  <InChI Std. ID>
InChI=1S/C19H22N2/c1-20-12-8-16(9-13-20)19-17-6-3-2-5-15(17)10-14-21-11-4-7-18(19)21/h2-7,11H,8-10,12-14H2,1H3

>  <InChI Key>
GLILMEKKDFAGIW-UHFFFAOYSA-N

