Molecule FYI-1001616

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A

Molecule Summary:

ID: FYI-1001616
SMILES: N(C(=O)C=1C(C(F)F)=NN(C)C1)C2=C3C4C(C(C)C)C(C3=CC=C2)CC4

Received at FYIcenter.com on: 2022-10-04

Molecule ID: FYI-1001616 Edit

Molecule Structure SMILES String: N(C(=O)C=1C(C(F)F)=NN(C)C1)C2=C3C4C(C(C)C)C(C3=CC=C2)CC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1001616
FYIcenter.com

 26 29  0  0  0  0  0  0  0  0999 V2000
    6.0508    5.2504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2325    4.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4142    5.2504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2325    3.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3364    2.4016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6340    2.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9177    4.1580    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.6481    1.9103    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.9148    1.1040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5503    1.1040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7483    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1285    2.4016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8691    4.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875    5.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4038    6.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0467    6.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2806    8.0522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0467    9.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4918    5.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5057    4.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5057    3.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875    2.5214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8691    3.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9408    7.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1336    7.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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
  8  6  1  0  0  0  0
  9  5  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 12  4  1  0  0  0  0
 13  1  1  0  0  0  0
 14 13  2  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  1  0  0  0  0
 19 17  1  0  0  0  0
 20 16  1  0  0  0  0
 21 20  1  0  0  0  0
 21 14  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 13  1  0  0  0  0
 25 20  1  0  0  0  0
 26 25  1  0  0  0  0
 26 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001616-3D
FYIcenter.com

 49 52  0  0  1  0  0  0  0  0999 V2000
    0.9697   -0.1510   -0.3559 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3225   -0.9458    0.5681 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8592   -1.6239    1.4344 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1223   -0.8562    0.4867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0660   -0.8813    1.5676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7468   -0.8923    3.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0725    0.2397    3.3901 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8667   -0.9123    3.8154 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3324   -0.8656    1.1030 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2034   -0.8586   -0.2279 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3781   -0.9798   -1.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9121   -0.7985   -0.6438 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3692   -0.0444   -0.4523 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9669    1.2024   -0.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4340    2.3934    0.4552 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3946    3.5282    0.0293 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2359    4.8325    0.8709 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1703    5.9570    0.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7921    5.3421    0.9236 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6711    2.6830    0.3321 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3614    1.3669   -0.3846 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1989    0.2753   -0.5455 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6111   -0.9941   -0.5996 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2106   -1.1562   -0.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4635    2.3071    1.8249 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9062    2.1057    1.9120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4433    0.6543   -0.6699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1395   -1.7585    3.3047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2531   -1.1731   -0.4366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2236   -1.8241   -1.7446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5031   -0.0531   -1.6198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6542   -0.7853   -1.6961 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3698    2.5745    0.3173 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3066    3.7502   -1.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5060    4.6407    1.9158 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8642    6.3867   -0.5295 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2051    5.6124    0.3465 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1550    6.7627    1.1734 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4711    5.7456   -0.0454 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7018    6.1380    1.6721 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0869    4.5604    1.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6303    3.1303    0.0691 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2779    0.3773   -0.4666 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2455   -1.8756   -0.6101 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7974   -2.1614   -0.5255 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7957    3.1013    2.4975 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9979    1.3935    2.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4696    2.8024    2.6280 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6677    1.0859    2.2441 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 28  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
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  2  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
 23 24  2  0  0  0  0
 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 26  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-07, 2662👍, 0💬