Molecule FYI-1000173

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Molecule Summary:

ID: FYI-1000173
SMILES: CC(C)N(C)C(=O)c2ccc(C#CCCc1ccc(Cl)cc1)cc2

Received at FYIcenter.com on: 2020-10-12

Molecule ID: FYI-1000173 Edit

Molecule Structure SMILES String: CC(C)N(C)C(=O)c2ccc(C#CCCc1ccc(Cl)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1000173
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  2  0  0  0  0
 18 11  1  0  0  0  0
 19  7  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
 22  6  1  0  0  0  0
 23 22  2  0  0  0  0
 23  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000173-3D
FYIcenter.com

 46 47  0  0  0  0  0  0  0  0999 V2000
    2.2420    1.6226   -1.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5948    0.3063   -0.5518 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3964   -0.2132    0.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917   -0.7111   -1.5020 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1617   -1.1602   -2.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3849   -1.2450   -1.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1068   -0.8746   -0.3758 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9271   -2.3355   -2.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6169   -2.4607   -3.5344 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0262   -3.5711   -4.2707 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8643   -4.5186   -3.6902 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2970   -5.6136   -4.4913 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6106   -6.4791   -5.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9542   -7.4848   -6.2818 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6951   -8.1236   -6.8726 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0081   -9.1716   -7.9112 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2065  -10.5074   -7.5368 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4830  -11.4820   -8.4996 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5696  -11.1222   -9.8417 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8971  -12.3241  -11.0299 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3885   -9.7968  -10.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1107   -8.8224   -9.2683 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2896   -4.3536   -2.3740 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8146   -3.2729   -1.6183 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3840    0.5377    0.1715 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5528   -0.4905   -0.3826 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1497   -0.8039   -2.3633 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1424   -2.2529   -2.5696 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4712   -0.7336   -3.4927 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0627   -1.7012   -4.0683 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6989   -3.6777   -5.3009 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5987   -8.2519   -5.8358 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5362   -7.0073   -7.0804 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0493   -7.3546   -7.3171 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0912   -8.5813   -6.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1368  -10.8012   -6.4908 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6225  -12.5154   -8.1962 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4557   -9.5166  -11.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9650   -7.7924   -9.5843 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9840   -5.0629   -1.9267 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1439   -3.1605   -0.5846 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  2  0  0  0  0
  9 10  2  0  0  0  0
  9 35  1  0  0  0  0
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 14 15  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  2  0  0  0  0
 17 18  2  0  0  0  0
 17 41  1  0  0  0  0
 18 19  1  0  0  0  0
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 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 24  1  0  0  0  0
 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2020-10-20, 3168👍, 0💬