Molecule FYI-1004891

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A

Molecule Summary:

ID: FYI-1004891
Names:
InChIKey: GJJFMKBJSRMPLA-UHFFFAOYSA-N
SMILES: CCN(CC)C(=O)C2(c1ccccc1)CC2CN

Received at FYIcenter.com on: 2023-09-26

Molecule ID: FYI-1004891 Edit

Molecule Structure InChIKey: GJJFMKBJSRMPLA-UHFFFAOYSA-N

Molecule Structure SMILES String: CCN(CC)C(=O)C2(c1ccccc1)CC2CN

Download SDF Download SVG Structure in 2D SDF:

FYI-1004891
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.4818    7.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4818    6.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2681    5.4378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0544    6.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0544    7.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2681    4.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4862    3.3689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0544    3.3356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6530    3.3356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3537    2.1220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3537    0.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1400    0.0198    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0454    2.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6827    0.9910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6736    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0273    0.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    1.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3969    2.6908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004891-3D
FYIcenter.com

 40 41  0     1  0  0  0  0  0999 V2000
    1.2833    0.8658    1.7906 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2015   -0.5322    0.1693 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8450    3.5789    0.4406 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0799    0.6815   -0.2041 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1273    2.1309   -0.5045 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4056    1.2108   -1.5632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4957    2.6871   -0.6620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0827   -0.2265   -0.0548 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2406    0.3485    0.6775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5450   -0.9653   -1.1487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7242   -0.3528    1.1816 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6025   -0.4638    0.5623 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8664   -1.5806   -0.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6372   -1.8214   -1.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8163   -1.2089    1.3227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2729   -1.9431    0.2282 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3763    0.4415   -0.3404 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4903   -2.8503   -0.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    2.8633   -0.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4452    1.3436   -1.8476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2314    1.0502   -2.4247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2785    1.9327   -0.7777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5145    3.2851   -1.5808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0775   -0.9119   -2.1266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3883    0.2173    2.0437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9101    3.0397    1.3034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7742    3.9656    0.2791 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6543   -0.0717    1.5843 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0309   -1.4715    0.5786 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0720   -1.2754   -1.4639 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7380   -1.7541   -1.4325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9917   -2.3954   -1.8587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125   -1.3024    2.2842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1232   -2.6098    0.3381 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4218    0.5013   -0.0218 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9645    1.4566   -0.3354 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3608    0.0873   -1.3764 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2321   -3.6242   -0.8275 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6297   -2.7119    0.5645 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3133   -3.2327    0.5156 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  7  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 24  1  0  0  0  0
 11 15  2  0  0  0  0
 11 25  1  0  0  0  0
 12 17  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 18  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 16  2  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
M  END
$$$$

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2023-10-15, 2529👍, 0💬