
 2-[4-(2-Methyl-1H-imidazo[4,5-c]pyridin-1-yl)phenyl]-1,4-dihydro-5H-1-benzazepin-5-one

 46 50  0  0  0  0  0  0  0  0999 V2000
    5.8059   -1.6150    0.5052 C   0  0  0  0  0
    4.6469   -0.6911    0.3682 C   0  0  0  0  0
    4.7723    0.6213    0.4026 N   0  0  0  0  0
    3.5355    1.1277    0.1155 C   0  0  0  0  0
    2.6119    0.1053   -0.0911 C   0  0  0  0  0
    3.3386   -1.0731    0.0669 N   0  0  0  0  0
    2.8321   -2.3994   -0.0713 C   0  0  0  0  0
    3.2694   -3.4229    0.7787 C   0  0  0  0  0
    2.7675   -4.7207    0.6335 C   0  0  0  0  0
    1.8246   -5.0097   -0.3589 C   0  0  0  0  0
    1.3869   -3.9874   -1.2069 C   0  0  0  0  0
    1.8879   -2.6894   -1.0661 C   0  0  0  0  0
    1.2899   -6.3785   -0.4966 C   0  0  0  0  0
    1.9132   -7.1849   -1.3668 C   0  0  0  0  0
    1.4505   -8.5641   -1.6751 C   0  0  0  0  0
    1.3731   -9.3944   -0.4178 C   0  0  0  0  0
    2.1803  -10.2902   -0.1755 O   0  0  0  0  0
    0.2325   -9.1572    0.4986 C   0  0  0  0  0
   -0.3123  -10.3045    1.1071 C   0  0  0  0  0
   -1.4180  -10.2076    1.9474 C   0  0  0  0  0
   -1.9890   -8.9646    2.1828 C   0  0  0  0  0
   -1.4369   -7.8220    1.5963 C   0  0  0  0  0
   -0.2962   -7.8831    0.7670 C   0  0  0  0  0
    0.1766   -6.6524    0.2616 N   0  0  0  0  0
    1.2612    0.3956   -0.3248 C   0  0  0  0  0
    0.9419    1.7453   -0.3952 C   0  0  0  0  0
    1.8200    2.7589   -0.2403 N   0  0  0  0  0
    3.1177    2.4595    0.0247 C   0  0  0  0  0
    5.7620   -2.4366   -0.2152 H   0  0  0  0  0
    5.8624   -2.0175    1.5204 H   0  0  0  0  0
    6.7387   -1.0719    0.3182 H   0  0  0  0  0
    3.9619   -3.2357    1.5944 H   0  0  0  0  0
    3.1094   -5.5067    1.3052 H   0  0  0  0  0
    0.6613   -4.2008   -1.9892 H   0  0  0  0  0
    1.5623   -1.9361   -1.7793 H   0  0  0  0  0
    2.7817   -6.8343   -1.9201 H   0  0  0  0  0
    2.1625   -9.0477   -2.3545 H   0  0  0  0  0
    0.4838   -8.5618   -2.1906 H   0  0  0  0  0
    0.1249  -11.2833    0.9146 H   0  0  0  0  0
   -1.8339  -11.1002    2.4076 H   0  0  0  0  0
   -2.8602   -8.8781    2.8275 H   0  0  0  0  0
   -1.9074   -6.8631    1.8061 H   0  0  0  0  0
   -0.1445   -5.8514    0.8012 H   0  0  0  0  0
    0.4972   -0.3632   -0.4270 H   0  0  0  0  0
   -0.0833    2.0583   -0.5800 H   0  0  0  0  0
    3.7965    3.2908    0.1680 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 28  1  0  0  0
  5 25  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  9 10  2  0  0  0
  9 33  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 34  1  0  0  0
 12 35  1  0  0  0
 13 14  2  0  0  0
 13 24  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 20 21  2  0  0  0
 20 40  1  0  0  0
 21 22  1  0  0  0
 21 41  1  0  0  0
 22 23  2  0  0  0
 22 42  1  0  0  0
 23 24  1  0  0  0
 24 43  1  0  0  0
 25 26  2  0  0  0
 25 44  1  0  0  0
 26 27  1  0  0  0
 26 45  1  0  0  0
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 28 46  1  0  0  0
M  END

>  <Chemical Name>
2-[4-(2-Methyl-1H-imidazo[4,5-c]pyridin-1-yl)phenyl]-1,4-dihydro-5H-1-benzazepin-5-one

>  <PubChem CID>
10428978

>  <Formula>
C23H18N4O

>  <Molecular Weight>
366.424000

>  <IUPAC Name>
2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,4-dihydro-1-benzazepin-5-one

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=NC2=C(N1C3=CC=C(C=C3)C4=CCC(=O)C5=CC=CC=C5N4)C=CN=C2

>  <Isomeric SMILES>
CC1=NC2=C(N1C3=CC=C(C=C3)C4=CCC(=O)C5=CC=CC=C5N4)C=CN=C2

>  <InChI Std. ID>
InChI=1S/C23H18N4O/c1-15-25-21-14-24-13-12-22(21)27(15)17-8-6-16(7-9-17)19-10-11-23(28)18-4-2-3-5-20(18)26-19/h2-10,12-14,26H,11H2,1H3

>  <InChI Key>
AFKZOHFDFWZUIG-UHFFFAOYSA-N

