Molecule Editor

Molecule ID: FYI-1006578 Edit

Molecule Structure InChIKey: IHCWZISCKJIACO-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)NCC(O)COc1ccc(NC(F)CCN)cc1C(C)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1006578
FYIcenter.com

 24 24  0  0  0  0  0  0  0  0999 V2000
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5491    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
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 15 14  1  0  0  0  0
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 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 13  1  0  0  0  0
 21 20  2  0  0  0  0
 21 10  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006578-3D
FYIcenter.com

 53 53  0  0  1  0  0  0  0  0999 V2000
    1.2827   -1.8534    2.3901 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8091   -1.7719    2.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4102   -2.3531    1.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1873   -0.3682    2.6536 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6273   -0.1833    2.8666 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9492    1.2977    3.1365 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3698    1.7062    4.3850 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4646    1.5287    3.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0502    0.7176    4.1951 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4057    0.8304    4.3678 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2283    1.6312    3.5721 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5916    1.7534    3.8468 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1807    1.0573    4.9019 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5194    1.2185    5.2656 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4801    1.5834    4.2335 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.4473    2.9326    4.0748 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.8874    1.1782    4.6513 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8921    1.5565    3.5673 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2278    1.0965    3.9328 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3498    0.2623    5.7000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9707    0.1109    5.4322 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8845    1.2553    2.1879 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1040   -2.6907    6.2989 H   0  0  0  0  0  0  0  0  0  0  0  0
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 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
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 18 19  1  0  0  0  0
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 22 50  1  0  0  0  0
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M  END
$$$$