Molecule FYI-1002922

A

Molecule Summary:

ID: FYI-1002922
Names:
InChIKey: MUCWEYAKCRELMX-UHFFFAOYSA-N
SMILES: Cc3cc2c(=O)c(N1CCCCC1)c(C(F)(F)F)c(=O)c2cc3C

Received at FYIcenter.com on: 2023-04-27

Molecule ID: FYI-1002922 Edit

Molecule Structure InChIKey: MUCWEYAKCRELMX-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cc2c(=O)c(N1CCCCC1)c(C(F)(F)F)c(=O)c2cc3C

Download SDF Download SVG Structure in 2D SDF:

FYI-1002922
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.4250    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
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 O   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
    8.4871    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1001    0.0000 C   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
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
 10 11  2  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
  8 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
  3 23  1  0  0  0  0
  2 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002922-3D
FYIcenter.com

 42 44  0  0  0  0  0  0  0  0999 V2000
    1.0469   -0.0679    0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5515   -0.0467   -0.0153 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2585   -1.2620   -0.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6604   -1.2804   -0.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3804   -2.5646   -0.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7490   -3.6170   -0.0745 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8900   -2.5401    0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5478   -3.7684    0.1621 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2082   -4.6481    1.2978 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4770   -5.3705    1.7534 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1368   -6.1269    0.5996 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3414   -5.2164   -0.6119 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0341   -4.5266   -1.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5526   -1.3660   -0.0751 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0436   -1.2951   -0.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5805   -0.0476   -0.0602 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.5978   -1.9383    0.9852 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.5608   -1.8861   -1.1978 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8328   -0.0796   -0.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4063    0.9997   -0.1561 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3626   -0.0868   -0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6679    1.1324   -0.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2650    1.1653   -0.0153 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5615    2.4966    0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6588   -1.0913    0.0053 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6512    0.4329   -0.8879 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6701    0.4314    0.9001 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7117   -2.2051   -0.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4366   -5.3720    1.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8186   -4.0583    2.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2400   -6.0640    2.5676 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1882   -4.6354    2.1516 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5060   -6.9768    0.3137 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0999   -6.5352    0.9264 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7309   -5.7976   -1.4546 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0949   -4.4572   -0.3658 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2859   -5.2677   -1.3114 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2096   -3.8675   -1.8607 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2290    2.0672   -0.0412 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2732    3.3290    0.0148 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9437    2.5860    0.9058 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9333    2.6082   -0.8825 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  2  0  0  0  0
  3  4  2  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  2  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 39  1  0  0  0  0
 23 24  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
M  END
$$$$

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2023-05-09, 3380👍, 0💬