Molecule Editor

Molecule ID: FYI-1003009 Edit

Molecule Structure InChIKey: DKGZKTPJOSAWFA-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(CCCN1CCC2(CC1)C(=O)NCN2c3ccccc3)c4ccc(F)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1003009
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
   10.0570    0.1611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7659    1.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    2.5710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0028    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6333    3.4923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5930    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8841    5.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8436    6.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5122    6.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2211    4.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2615    3.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    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
    6.0621    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
 12  5  1  0  0  0  0
 12  2  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 26 25  2  0  0  0  0
 26 20  1  0  0  0  0
 27 19  2  0  0  0  0
 28 15  1  0  0  0  0
 29 28  1  0  0  0  0
 29 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003009-3D
FYIcenter.com

 55 58  0     1  0  0  0  0  0999 V2000
   -4.4950    3.5653    0.6610 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8151   -2.9047    0.4860 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9523   -2.6792    0.3893 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2378    0.5702    0.0669 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.0852   -2.2457    0.1187 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9652   -0.8964    0.3575 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125   -0.7753    0.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9268   -1.1839   -1.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7239   -0.9098    1.4115 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0134   -2.4046   -1.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8241   -2.1492    1.3832 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8349   -1.6891    0.3559 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6893    0.4925    0.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8533   -3.3678    0.1641 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    1.8000   -0.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6369   -3.4552   -1.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2076    1.9213   -0.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4431   -2.1841   -1.4279 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7428    4.2467   -0.3702 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5869    3.1573   -0.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4147   -1.8257   -0.3124 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7042   -0.3866   -0.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2363    2.2721    0.4276 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3287   -0.3672   -1.5688 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7535   -1.3540   -1.6112 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 12  2  0  0  0  0
  3 22  2  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
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  8 10  1  0  0  0  0
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 28 55  1  0  0  0  0
M  END
$$$$