Molecule FYI-1015337

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A

Molecule Summary:

ID: FYI-1015337
Names:
InChIKey: ZSHHDUILGOFOHU-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCNCc1ccccc1

Received at FYIcenter.com on: 2025-08-06

Molecule ID: FYI-1015337 Edit

Molecule Structure InChIKey: ZSHHDUILGOFOHU-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCNCc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015337
FYIcenter.com

 22 22  0  0  0  0  0  0  0  0999 V2000
   21.8238    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 N   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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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  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  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015337-3D
FYIcenter.com

 59 59  0     0  0  0  0  0  0999 V2000
    4.9584    0.2012    0.0481 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8680    0.5479    0.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5620   -0.2126   -0.2125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0839   -0.3553   -0.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3454    0.6815    0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3891    0.3960    0.0773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0384   -0.0886   -0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6067   -0.4982   -0.1686 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1764    0.7997    0.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9097    0.2457    0.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5143    0.0747   -0.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1618   -0.6111   -0.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7245    0.9571    0.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4651    0.1396    0.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6770   -0.7500   -0.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1222    1.0371    0.3057 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4094    0.2770    0.1259 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9784   -0.3966    1.2069 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0329    0.2460   -1.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1709   -1.1008    1.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2254   -0.4584   -1.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.1318   -0.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9222    1.4063   -0.6576 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0112   -0.4684   -1.1977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0145   -0.9579    0.4982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5422   -1.3910    0.4650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6108   -0.8399   -1.2106 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1136    1.1866    1.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1497    1.6692   -0.5612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8920    0.6042    1.1688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9735    1.1340   -0.5087 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5310   -0.8053    0.5866 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5807   -0.2983   -1.0998 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6564    1.3153    1.2691 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9952   -0.1519   -0.9082 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7133   -1.1009   -1.0683 H   0  0  0  0  0  0  0  0  0  0  0  0
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  -12.6544   -1.6240    0.6267 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1271    1.9093   -0.3613 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6137   -1.6257    1.8819 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7107   -0.4831   -2.2592 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7225   -1.6805   -0.3365 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 16  1  0  0  0  0
  1 49  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3  5  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  6  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  7  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6  8  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7  9  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8 10  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 11  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 12  1  0  0  0  0
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 14 47  1  0  0  0  0
 14 48  1  0  0  0  0
 15 50  1  0  0  0  0
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 15 52  1  0  0  0  0
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 16 53  1  0  0  0  0
 16 54  1  0  0  0  0
 17 18  2  0  0  0  0
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 18 20  1  0  0  0  0
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 20 22  2  0  0  0  0
 20 57  1  0  0  0  0
 21 22  1  0  0  0  0
 21 58  1  0  0  0  0
 22 59  1  0  0  0  0
M  END
$$$$

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