
 4-(7-(5-Fluoro-1H-indole-1-yl)-9-chloro-2,3,4,5-tetrahydro-1,4-benzooxazepine-4-yl)methylpyridine-2(1H)-one

 49 53  0  0  0  0  0  0  0  0999 V2000
    1.6969    1.5755    0.8092 C   0  0  0  0  0
    0.5888    2.3710    0.1043 C   0  0  0  0  0
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   -1.7250   -1.0998    0.1850 C   0  0  0  0  0
   -0.9623   -0.0262    0.6799 C   0  0  0  0  0
    0.2864   -0.2823    1.4935 C   0  0  0  0  0
    1.5208    0.1014    0.7813 N   0  0  0  0  0
    2.7036   -0.5254    1.4089 C   0  0  0  0  0
    2.7696   -2.0269    1.2439 C   0  0  0  0  0
    2.8317   -2.8627    2.2971 C   0  0  0  0  0
    2.9036   -4.3307    2.0863 C   0  0  0  0  0
    2.9496   -5.1041    3.0339 O   0  0  0  0  0
    2.9152   -4.7482    0.7785 N   0  0  0  0  0
    2.8624   -3.8982   -0.2946 C   0  0  0  0  0
    2.7916   -2.5745   -0.1044 C   0  0  0  0  0
   -3.6747   -1.9630   -1.0492 N   0  0  0  0  0
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   -5.4712   -3.1674   -1.6670 C   0  0  0  0  0
   -4.3213   -3.9650   -1.8742 C   0  0  0  0  0
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   -2.8502   -5.7690   -2.5146 C   0  0  0  0  0
   -4.1414   -5.2728   -2.3668 C   0  0  0  0  0
   -2.6756   -7.0078   -2.9944 F   0  0  0  0  0
   -3.1942    3.1165   -0.4889 Cl  0  0  0  0  0
    2.6362    1.8221    0.2983 H   0  0  0  0  0
    1.7837    1.9233    1.8472 H   0  0  0  0  0
    0.4535    2.0461   -0.9373 H   0  0  0  0  0
    0.8941    3.4230    0.0595 H   0  0  0  0  0
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    0.2981   -1.3529    1.7299 H   0  0  0  0  0
    2.7572   -0.2510    2.4717 H   0  0  0  0  0
    3.6146   -0.1220    0.9450 H   0  0  0  0  0
    2.8277   -2.5301    3.3271 H   0  0  0  0  0
    2.9680   -5.7496    0.6368 H   0  0  0  0  0
    2.8803   -4.3484   -1.2810 H   0  0  0  0  0
    2.7437   -1.8904   -0.9466 H   0  0  0  0  0
   -5.6383   -1.0888   -0.9063 H   0  0  0  0  0
   -6.4994   -3.4505   -1.8525 H   0  0  0  0  0
   -1.0132   -3.1036   -1.5099 H   0  0  0  0  0
   -0.7490   -5.4135   -2.3534 H   0  0  0  0  0
   -4.9898   -5.8872   -2.6494 H   0  0  0  0  0
  1 11  1  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  6  7  2  0  0  0
  6 35  1  0  0  0
  7  8  1  0  0  0
  7 20  1  0  0  0
  8  9  2  0  0  0
  8 36  1  0  0  0
  9 10  1  0  0  0
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 10 37  1  0  0  0
 10 38  1  0  0  0
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M  END

>  <Chemical Name>
4-(7-(5-Fluoro-1H-indole-1-yl)-9-chloro-2,3,4,5-tetrahydro-1,4-benzooxazepine-4-yl)methylpyridine-2(1H)-one

>  <PubChem CID>
56927669

>  <Formula>
C23H19ClFN3O2

>  <Molecular Weight>
423.872000

>  <IUPAC Name>
4-[[9-chloro-7-(5-fluoroindol-1-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]-1H-pyridin-2-one

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1COC2=C(C=C(C=C2CN1CC3=CC(=O)NC=C3)N4C=CC5=C4C=CC(=C5)F)Cl

>  <Isomeric SMILES>
C1COC2=C(C=C(C=C2CN1CC3=CC(=O)NC=C3)N4C=CC5=C4C=CC(=C5)F)Cl

>  <InChI Std. ID>
InChI=1S/C23H19ClFN3O2/c24-20-12-19(28-6-4-16-10-18(25)1-2-21(16)28)11-17-14-27(7-8-30-23(17)20)13-15-3-5-26-22(29)9-15/h1-6,9-12H,7-8,13-14H2,(H,26,29)

>  <InChI Key>
JCMBXRJQNVPHIQ-UHFFFAOYSA-N

