Molecule FYI-1000283

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Molecule Summary:

ID: FYI-1000283
SMILES: NC(CCCCC(=O)c1ccc(Cl)cc1(c2ccccc2)c3ccccc3

Received at FYIcenter.com on: 2021-03-04

Molecule ID: FYI-1000283 Edit

Molecule Structure SMILES String: NC(CCCCC(=O)c1ccc(Cl)cc1(c2ccccc2)c3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1000283
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
   12.1243    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   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
    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
    0.0000    2.1000    0.0000 Cl  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
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    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
  2  1  1  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  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  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 12  1  0  0  0  0
 15 14  2  0  0  0  0
 15  9  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000283-3D
FYIcenter.com

 52 54  0  0  0  0  0  0  0  0999 V2000
    0.5564    2.9384   -5.8485 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0076    3.0615   -5.8187 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6401    1.7871   -5.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1612    1.9212   -5.2103 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8403    0.6827   -4.6187 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3612    0.8782   -4.6208 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1445   -0.2770   -4.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5263   -1.2118   -3.5104 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6792   -0.2638   -4.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2001    0.6664   -5.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4085    0.4359   -5.7124 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0399   -0.7755   -5.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4866   -1.1383   -6.3615 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.5164   -1.6973   -4.5879 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247   -1.3360   -3.5951 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5059   -0.8161   -2.3656 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1560    0.2427   -1.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6527    0.2587   -0.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5449   -0.7179    0.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0436   -1.6538   -0.6333 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5470   -1.6855   -1.9286 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7840   -2.5240   -2.8500 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2993   -2.3950   -1.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6907   -3.4370   -0.8214 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4992   -4.6491   -1.4493 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9234   -4.8092   -2.7763 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5713   -3.7676   -3.4634 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1490    3.8173   -6.1628 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2066    2.7829   -4.9037 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2860    3.9241   -5.2040 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3725    3.2457   -6.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.9267   -5.8780 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2586    1.5944   -4.2456 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4315    2.8004   -4.6121 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5389    2.0965   -6.2254 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5803   -0.2018   -5.2132 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4778    0.5021   -3.6006 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6134    1.7853   -4.0623 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6503    0.9946   -5.6707 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6248    1.5169   -5.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7761    1.1400   -6.4524 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0005   -2.6702   -4.5241 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3862    0.9634   -1.7630 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2769    0.9912    0.5289 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8361   -0.7717    1.3096 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7426   -2.4185   -0.3088 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8942   -2.4944   -2.5631 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3760   -1.4555   -0.9834 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3668   -3.2872    0.2086 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9966   -5.4614   -0.9331 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7601   -5.7546   -3.2738 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8843   -3.9441   -4.4864 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5 36  1  0  0  0  0
  5 37  1  0  0  0  0
  6  7  1  0  0  0  0
  6 38  1  0  0  0  0
  6 39  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 10 40  1  0  0  0  0
 11 12  1  0  0  0  0
 11 41  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 42  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 18  2  0  0  0  0
 17 43  1  0  0  0  0
 18 19  1  0  0  0  0
 18 44  1  0  0  0  0
 19 20  2  0  0  0  0
 19 45  1  0  0  0  0
 20 21  1  0  0  0  0
 20 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  2  0  0  0  0
 23 24  2  0  0  0  0
 23 48  1  0  0  0  0
 24 25  1  0  0  0  0
 24 49  1  0  0  0  0
 25 26  2  0  0  0  0
 25 50  1  0  0  0  0
 26 27  1  0  0  0  0
 26 51  1  0  0  0  0
 27 52  1  0  0  0  0
M  END
$$$$

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2021-08-13, 2948👍, 0💬