Molecule FYI-1013968

A

Molecule Summary:

ID: FYI-1013968
Names:
InChIKey: RYACMDQLNHVEGA-UHFFFAOYSA-N
SMILES: CC2CN(c1cccc(F)c1)CCN2C(=O)CNC3C=CC=C(F)C3

Received at FYIcenter.com on: 2025-02-14

Molecule ID: FYI-1013968 Edit

Molecule Structure InChIKey: RYACMDQLNHVEGA-UHFFFAOYSA-N

Molecule Structure SMILES String: CC2CN(c1cccc(F)c1)CCN2C(=O)CNC3C=CC=C(F)C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013968
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  4  3  1  0  0  0  0
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  6  5  1  0  0  0  0
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  7  2  1  0  0  0  0
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  9  8  2  0  0  0  0
 10  8  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  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 18 12  1  0  0  0  0
 19  4  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
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  2  0  0  0  0
 25 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013968-3D
FYIcenter.com

 48 50  0  0  1  0  0  0  0  0999 V2000
    1.0380    0.0604    0.1844 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5507    0.0095   -0.0275 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0602    1.0774   -1.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7437    0.7271   -2.4232 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8732    1.4738   -3.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0143    1.5353   -4.5931 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500    2.2933   -5.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1095    3.0050   -4.8142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0417    2.9625   -3.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0434    3.6400   -2.8605 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8294    2.2237   -2.6386 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1677   -0.6268   -2.8411 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6576   -1.6884   -1.8426 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9878   -1.3410   -0.4495 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8538   -2.1611    0.2718 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3650   -3.1655   -0.2291 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1699   -1.7237    1.7186 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0305   -2.7058    2.3975 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4914   -2.2978    3.7315 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2252   -0.9783    3.7130 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8021    0.1019    4.3882 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5910    0.0666    5.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9237   -1.0755    5.3741 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8068   -1.0396    6.1330 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3643   -2.3914    4.8003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7363    1.0435    0.5607 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7288   -0.6900    0.9197 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4805   -0.1353   -0.7362 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9965    0.2611    0.9372 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7119    2.0775   -0.7485 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8385    1.0181   -5.0788 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3006    2.3293   -6.4713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5758    3.5928   -5.4138 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    2.2324   -1.5728 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2635   -0.6518   -2.8724 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8074   -0.8932   -3.8410 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0601   -2.6695   -2.1127 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1372   -0.9176    3.1244 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3544    1.0368    4.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2352    0.9910    5.6132 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4893   -2.9184    4.4015 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7248   -3.0094    5.6341 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  2  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  2  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 14  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 19  1  0  0  0  0
 18 42  1  0  0  0  0
 19 20  1  0  0  0  0
 19 25  1  0  0  0  0
 19 43  1  0  0  0  0
 20 21  2  0  0  0  0
 20 44  1  0  0  0  0
 21 22  1  0  0  0  0
 21 45  1  0  0  0  0
 22 23  2  0  0  0  0
 22 46  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
M  END
$$$$

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2025-03-12, 672👍, 0💬