Molecule FYI-1014011

A

Molecule Summary:

ID: FYI-1014011
Names:
InChIKey: ZBJWPADMRXYSEI-UHFFFAOYSA-N
SMILES: CCNC3CC(c1ccccc1)C(c2ccc(Cl)c(Cl)c2)C3

Received at FYIcenter.com on: 2025-02-16

Molecule ID: FYI-1014011 Edit

Molecule Structure InChIKey: ZBJWPADMRXYSEI-UHFFFAOYSA-N

Molecule Structure SMILES String: CCNC3CC(c1ccccc1)C(c2ccc(Cl)c(Cl)c2)C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1014011
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2125    3.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.0470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.0470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9163    5.4776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    6.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    7.7305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7837    7.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2074    4.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1670    3.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4581    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7896    1.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8300    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5389    3.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7225    9.0094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1148    9.1558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6842   10.4348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0807    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.1615    1.8736    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
 13 14  1  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014011-3D
FYIcenter.com

 43 45  0  0  1  0  0  0  0  0999 V2000
    0.8853    0.0294   -0.1555 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4033    0.0318   -0.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9425    1.2291   -0.7708 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4006    1.2669   -0.6873 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0167    2.5019   -1.3463 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5056    2.1331   -1.5756 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.5361    2.8342   -0.7127 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2530    3.2772    0.5891 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2743    3.7180    1.4313 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5857    3.7693    0.9728 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8747    3.4113   -0.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8534    2.9433   -1.1798 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5653    0.5604   -1.5178 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4054   -0.1232   -0.4382 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917    0.0695    0.9348 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0186   -0.5217    1.8934 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0547   -1.3611    1.4998 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0577   -2.0341    2.7344 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.2487   -1.6252    0.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4687   -2.7114   -0.4219 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4320   -1.0031   -0.8172 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0949    0.1259   -1.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5040   -0.9028    0.2739 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5172    0.1003   -1.1838 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4706    0.8620    0.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7337   -0.0167    0.9300 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5539    2.0598   -0.3237 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6730    1.2727    0.3713 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8609    3.4143   -0.7639 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5427    2.6728   -2.3233 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7203    2.4368   -2.6093 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2459    3.2226    0.9954 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0481    3.9991    2.4568 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3848    4.0852    1.6343 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8986    3.4636   -0.7119 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1090    2.6358   -2.1933 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9496    0.2174   -2.4891 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4034    0.7149    1.3000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8478   -0.3090    2.9456 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6081   -1.2120   -1.8711 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9699   -0.8452   -0.9403 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6830    0.0366   -2.4446 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  2  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 11 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 13 38  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  2  0  0  0  0
 15 16  2  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
M  END
$$$$

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2025-03-12, 763👍, 0💬