Molecule FYI-1000440

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Molecule Summary:

ID: FYI-1000440
SMILES: Clc1ccc(cc1)C1CC(=NN1)C1=Cc2ccccc2OC1=O

Received at FYIcenter.com on: 2021-06-24

Molecule ID: FYI-1000440 Edit

Molecule Structure SMILES String: Clc1ccc(cc1)C1CC(=NN1)C1=Cc2ccccc2OC1=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1000440
FYIcenter.com

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3412    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5780    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2086    4.1923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    3.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2398    1.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6321    1.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2015    0.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5938    0.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4167    1.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8473    2.6856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4550    2.8319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8855    4.1110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4932    4.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9238    5.5362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 14 10  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 24 15  1  0  0  0  0
 25 24  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000440-3D
FYIcenter.com

 36 39  0  0  1  0  0  0  0  0999 V2000
   -2.0661    0.1281    0.3526 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3487    0.1131    0.2468 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3205   -1.0868    0.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7166   -1.1009   -0.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4594    0.0826    0.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7632    1.2847    0.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3663    1.2997    0.3883 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9737    0.0337    0.0230 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5524    0.8808   -1.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4173    1.8493   -0.3329 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3931    1.6843    0.9567 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6541    0.5761    1.1972 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2443    2.8605   -1.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4143    3.2164   -0.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3333    4.0989   -1.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5591    4.5051   -0.6737 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4175    5.3185   -1.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0586    5.7243   -2.7163 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8373    5.3275   -3.2499 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9937    4.5245   -2.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7710    4.1605   -3.0651 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8527    3.3737   -2.3858 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7644    3.1201   -2.8951 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2362   -2.0131   -0.0931 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2198   -2.0493   -0.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3055    2.2225    0.4301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1555    2.2389    0.5522 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2934   -1.0068   -0.1085 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7810    1.4060   -1.6681 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1846    0.2931   -1.7760 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0835    0.6128    2.0421 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7264    2.8283    0.4724 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8667    4.1972    0.3223 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3731    5.6322   -1.0137 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7297    6.3479   -3.3018 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    5.6351   -4.2495 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  2  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  2  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  2  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
$$$$

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2022-11-16, 2205👍, 0💬