
 CHEMBL243020

 45 49  0  0  0  0  0  0  0  0999 V2000
    0.1934   -0.9401   -2.1797 C   0  0  0  0  0
    0.8698   -1.6758   -1.0132 C   0  0  0  0  0
    2.1809   -0.8926   -0.8267 C   0  0  0  0  0
    2.5391   -0.5521   -2.2761 C   0  0  0  0  0
    1.2118    0.1569   -2.5357 C   0  0  0  0  0
    1.2057    1.2287   -1.4302 C   0  0  0  0  0
    1.8454    0.4945   -0.2322 C   0  0  0  0  0
    3.0375    1.1634    0.2580 N   0  0  0  0  0
    2.9560    2.3244    1.0003 C   0  0  0  0  0
    1.8992    2.8638    1.3054 O   0  0  0  0  0
    4.2555    2.9355    1.3933 C   0  0  0  0  0
    4.3210    4.3322    1.5192 C   0  0  0  0  0
    5.5390    4.9342    1.8900 C   0  0  0  0  0
    6.6487    4.1172    2.1303 C   0  0  0  0  0
    6.5978    2.7226    2.0277 C   0  0  0  0  0
    5.3790    2.1437    1.6590 C   0  0  0  0  0
    7.7026    4.9405    2.4668 N   0  0  0  0  0
    7.2974    6.2454    2.4580 C   0  0  0  0  0
    5.9633    6.2733    2.0984 C   0  0  0  0  0
    5.2408    7.5709    1.9750 C   0  0  0  0  0
    5.9484    8.6322    2.8428 C   0  0  0  0  0
    7.4082    8.5876    2.7504 N   0  0  0  0  0
    8.1065    7.3965    2.7579 C   0  0  0  0  0
    9.3087    7.3546    2.9930 O   0  0  0  0  0
   -0.7827   -0.5326   -1.8983 H   0  0  0  0  0
    0.0479   -1.6257   -3.0222 H   0  0  0  0  0
    1.0752   -2.7155   -1.2927 H   0  0  0  0  0
    0.2487   -1.6814   -0.1122 H   0  0  0  0  0
    2.9458   -1.4469   -0.2777 H   0  0  0  0  0
    2.6854   -1.4377   -2.9037 H   0  0  0  0  0
    3.4070    0.1086   -2.3698 H   0  0  0  0  0
    1.0817    0.5650   -3.5399 H   0  0  0  0  0
    1.7965    2.0990   -1.7381 H   0  0  0  0  0
    0.1912    1.5697   -1.1992 H   0  0  0  0  0
    1.1382    0.4195    0.6023 H   0  0  0  0  0
    3.9284    0.9151   -0.1507 H   0  0  0  0  0
    3.4408    4.9407    1.3290 H   0  0  0  0  0
    7.4671    2.1067    2.2365 H   0  0  0  0  0
    5.3159    1.0594    1.6112 H   0  0  0  0  0
    8.6405    4.6360    2.6926 H   0  0  0  0  0
    5.2633    7.8843    0.9243 H   0  0  0  0  0
    4.1926    7.4775    2.2768 H   0  0  0  0  0
    5.6223    9.6390    2.5647 H   0  0  0  0  0
    5.7000    8.4739    3.8992 H   0  0  0  0  0
    7.9511    9.3816    3.0635 H   0  0  0  0  0
  1  2  1  0  0  0
  1  5  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  7  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 16  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 37  1  0  0  0
 13 19  1  0  0  0
 13 14  2  0  0  0
 14 17  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 38  1  0  0  0
 16 39  1  0  0  0
 17 18  1  0  0  0
 17 40  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 20 41  1  0  0  0
 20 42  1  0  0  0
 21 22  1  0  0  0
 21 43  1  0  0  0
 21 44  1  0  0  0
 22 23  1  0  0  0
 22 45  1  0  0  0
 23 24  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL243020

>  <PubChem CID>
44431047

>  <Formula>
C19H21N3O2

>  <Molecular Weight>
323.396000

>  <IUPAC Name>
N-(3-bicyclo[2.2.1]heptanyl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CC2CC1CC2NC(=O)C3=CC4=C(C=C3)NC5=C4CCNC5=O

>  <Isomeric SMILES>
C1CC2CC1CC2NC(=O)C3=CC4=C(C=C3)NC5=C4CCNC5=O

>  <InChI Std. ID>
InChI=1S/C19H21N3O2/c23-18(22-16-8-10-1-2-11(16)7-10)12-3-4-15-14(9-12)13-5-6-20-19(24)17(13)21-15/h3-4,9-11,16,21H,1-2,5-8H2,(H,20,24)(H,22,23)

>  <InChI Key>
AGAIKUOCMSBANK-UHFFFAOYSA-N

