Molecule FYI-1001978

Home > Molecule

A

Molecule Summary:

ID: FYI-1001978
SMILES: CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)C(F)(F)F)C(=O)NC(CC3CCNC3=O)C#N)C

Received at FYIcenter.com on: 2023-01-10

Molecule ID: FYI-1001978 Edit

Molecule Structure SMILES String: CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)C(F)(F)F)C(=O)NC(CC3CCNC3=O)C#N)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001978
FYIcenter.com

 35 37  0  0  0  0  0  0  0  0999 V2000
   10.3779    7.2978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9779    7.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779    7.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    6.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3411    5.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2085    7.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2373    7.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    7.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    4.0269    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1145    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    1.6021    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6322    3.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5918    2.7389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9637    3.2430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2547    1.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5862    1.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6266    2.3778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9961    2.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6961    3.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7593    4.3395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4804    3.7701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2679    4.4701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2143    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1740    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6779    8.5103    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
  4  2  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
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  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 11  1  0  0  0  0
 14 11  1  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 18  1  0  0  0  0
 22  5  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 31 27  1  0  0  0  0
 32 31  2  0  0  0  0
 33 25  1  0  0  0  0
 34 33  3  0  0  0  0
 35  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001978-3D
FYIcenter.com

 67 69  0  0  1  0  0  0  0  0999 V2000
    0.8615   -0.2077    0.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -0.0184    0.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0160    0.5836   -1.1681 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2765   -0.8629   -0.8071 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8519   -1.6731   -2.0003 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9444   -0.6998   -3.1194 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4818    0.5861   -2.5896 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1360   -0.7167   -3.8621 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9887   -1.5835   -3.6410 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2926    0.1870   -5.1177 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8041    0.3678   -5.5481 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4464   -0.9202   -6.1233 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9056    1.4455   -6.6506 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6547    0.8504   -4.3528 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5252   -0.4471   -6.1990 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4889    0.1730   -6.8838 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0671    1.2813   -6.5497 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9251   -0.6421   -8.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5936   -1.8209   -8.2381 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6141   -0.9665   -7.9131 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0257    0.0189   -9.2627 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4570   -3.0746   -2.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0299   -3.7235   -1.3256 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1279   -3.6022   -3.4366 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5634   -4.9094   -3.8968 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6587   -6.0063   -3.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1837   -5.9154   -3.7329 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4138   -4.6595   -3.3067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0379   -5.1059   -3.2413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9656   -6.5250   -3.0818 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3314   -6.9914   -3.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6910   -8.0866   -2.7143 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5883   -4.9361   -5.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5627   -4.8727   -6.5371 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9177    0.3683    1.4215 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4335   -0.5471   -0.8421 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3770    0.7411    0.3615 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5873   -0.9385    0.8723 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8126    1.3042   -1.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2704   -1.1184   -0.4582 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7795   -1.8873   -1.9019 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3852    0.5838   -2.6052 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8482    1.4429   -3.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8734    1.1733   -4.9058 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9365   -1.2602   -7.0311 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4466   -1.7523   -5.4157 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4940   -0.7442   -6.3945 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4622    1.1026   -7.5918 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9540    1.6925   -6.8596 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4025    2.3711   -6.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7492    0.0872   -3.5744 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2219    1.7461   -3.8956 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6756    1.0947   -4.6691 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8118   -1.3733   -6.5124 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7158   -2.9622   -4.1054 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5850   -5.0660   -3.5275 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7278   -5.9949   -2.2203 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0504   -6.9842   -3.6286 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0988   -6.0497   -4.8178 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5379   -3.8267   -4.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7329   -4.3235   -2.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5997   -4.8593   -4.1460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5444   -4.6827   -2.3691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7036   -7.1013   -2.6968 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5329    1.3456    1.7302 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0116    0.4235    1.4123 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6308   -0.3695    2.1793 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 35  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 39  1  0  0  0  0
  4  5  1  0  0  0  0
  4 40  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  5 41  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 42  1  0  0  0  0
  7 43  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 44  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 45  1  0  0  0  0
 12 46  1  0  0  0  0
 12 47  1  0  0  0  0
 13 48  1  0  0  0  0
 13 49  1  0  0  0  0
 13 50  1  0  0  0  0
 14 51  1  0  0  0  0
 14 52  1  0  0  0  0
 14 53  1  0  0  0  0
 15 16  1  0  0  0  0
 15 54  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 55  1  0  0  0  0
 25 26  1  0  0  0  0
 25 33  1  0  0  0  0
 25 56  1  0  0  0  0
 26 27  1  0  0  0  0
 26 57  1  0  0  0  0
 26 58  1  0  0  0  0
 27 28  1  0  0  0  0
 27 31  1  0  0  0  0
 27 59  1  0  0  0  0
 28 29  1  0  0  0  0
 28 60  1  0  0  0  0
 28 61  1  0  0  0  0
 29 30  1  0  0  0  0
 29 62  1  0  0  0  0
 29 63  1  0  0  0  0
 30 31  1  0  0  0  0
 30 64  1  0  0  0  0
 31 32  2  0  0  0  0
 33 34  3  0  0  0  0
 35 65  1  0  0  0  0
 35 66  1  0  0  0  0
 35 67  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-02-03, 2272👍, 0💬