Molecule Editor

Molecule ID: FYI-1005699 Edit

Molecule Structure InChIKey: TXHFIFDCAXSCTE-HYBUGGRVSA-N

Molecule Structure SMILES String: CCN(CC)C(=O)[C@@H]3C=C1c4cccc5[nH]cc(C[C@H]1N(OCc2ccccc2)C3)c45

Download SDF Download SVG Structure in 2D SDF:

FYI-1005699
FYIcenter.com

 31 35  0  0  1  0  0  0  0  0999 V2000
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    4.8409   10.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4205    9.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8409    6.2885    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8005    6.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8409    4.8910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8409    0.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8409    2.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2102   11.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  6  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  1  0  0  0
 10  9  1  0  0  0  0
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 29 24  1  0  0  0  0
 30  3  1  0  0  0  0
 31 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005699-3D
FYIcenter.com

 60 64  0  0  1  0  0  0  0  0999 V2000
    2.0087    0.3755   -0.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3256   -0.4601    0.6036 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6319   -1.8999    0.3548 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5955   -2.8843    0.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2003   -2.4516    0.5672 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8134   -2.1598   -0.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3821   -1.1716   -0.7862 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5081   -3.6709   -0.3732 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.5570   -2.7987    3.9897 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5572   -1.4028    3.9540 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3259   -0.9340    3.6083 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9247   -3.3407    1.6045 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
$$$$