Molecule FYI-1002267

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A

Molecule Summary:

ID: FYI-1002267
Names:
InChIKey: IMMAROBNUIRASX-UHFFFAOYSA-N
SMILES: CCCN(CCC)C2CCc1ccccc1C2

Received at FYIcenter.com on: 2023-02-16

Molecule ID: FYI-1002267 Edit

Molecule Structure InChIKey: IMMAROBNUIRASX-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCN(CCC)C2CCc1ccccc1C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1002267
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    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    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    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
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002267-3D
FYIcenter.com

 42 43  0     1  0  0  0  0  0999 V2000
   -1.9736   -0.0638    0.4987 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5373    0.1040    0.7149 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0106   -1.0659    1.5341 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1991    0.1937   -0.6288 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4873   -0.8404    1.8601 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7005    0.1195   -0.4866 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3049   -0.4063    0.6697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2373   -1.2876   -0.2572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5246    1.0971   -0.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7397   -1.4775   -0.4508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3330    2.3593    0.6376 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5069    0.5301   -1.5595 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7045   -0.4762    0.7439 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8964    0.4458   -1.4771 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4950   -0.0549   -0.3249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0422   -2.7562   -1.2167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9174    3.5791   -0.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3212    0.9885    1.3220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0407   -2.0136    0.9862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5511   -1.1948    2.4673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0318    1.1446   -1.1228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0362   -0.6138   -1.3249 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9011   -1.7659    2.2785 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5722   -0.0641    2.6311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8023   -1.2978   -1.2596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8914   -2.1784    0.2737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1403    1.2260   -1.2177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6112    1.0134   -0.2926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1916   -0.6791   -1.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2516   -1.5061    0.5186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2794    2.6009    0.7993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8030    2.2429    1.6217 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0535    0.9190   -2.4682 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1865   -0.8614    1.6392 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5104    0.7704   -2.3120 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5771   -0.1176   -0.2576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5835   -2.7391   -2.2106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6671   -3.6335   -0.6800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1228   -2.8756   -1.3445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4362    3.7477   -1.0266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9928    3.4593   -0.2240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7684    4.4738    0.5553 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 18  1  0  0  0  0
  3  5  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  6  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 10  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 11  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 16  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 17  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 14  1  0  0  0  0
 12 33  1  0  0  0  0
 13 15  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  2  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-03-17, 866👍, 0💬