Molecule FYI-1002201

A

Molecule Summary:

ID: FYI-1002201
Names:
InChIKey: LOWPYBSWYZWEPY-JSKKQJDMSA-N
SMILES: N#Cc6ccc(C5C1CCCCC1(O)C3(C(=O)c2ccccc2C3=O)C(c4ccccc4)C5N(=O)=O)cc6

Received at FYIcenter.com on: 2023-02-05

Molecule ID: FYI-1002201 Edit

Molecule Structure InChIKey: LOWPYBSWYZWEPY-JSKKQJDMSA-N

Molecule Structure SMILES String: N#Cc6ccc(C5C1CCCCC1(O)C3(C(=O)c2ccccc2C3=O)C(c4ccccc4)C5N(=O)=O)cc6

Download SDF Download SVG Structure in 2D SDF:

FYI-1002201
FYIcenter.com

 39 44  0  0  0  0  0  0  0  0999 V2000
    6.7406    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1033    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1033    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1694    6.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368    4.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3768    7.4464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7482    3.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    7.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    7.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4596    4.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5903    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 10 16  1  0  0  0  0
  9 13  1  0  0  0  0
 11 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
  8 26  1  0  0  0  0
  8 23  1  0  0  0  0
 12 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  2  0  0  0  0
 23 30  2  0  0  0  0
 26 31  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 25 35  2  0  0  0  0
 24 32  2  0  0  0  0
  9 36  1  0  0  0  0
 10 37  1  1  0  0  0
 20 38  1  0  0  0  0
 38 39  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002201-3D
FYIcenter.com

 64 69  0  0  1  0  0  0  0  0999 V2000
   -2.5907    4.2657   -0.1576 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6309    3.5966   -0.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4420    2.7953    0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1339    2.5388    1.2709 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3182    1.7730    1.3942 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9564    1.1930    0.2958 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0700    0.0605    0.3291 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4280   -1.1626   -0.3847 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0985   -1.5721    0.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3502   -2.6469   -0.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2950   -3.7727   -0.7510 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5275   -3.3061   -1.5528 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4452   -2.3246   -0.7630 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3708   -1.7278   -1.6882 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3093   -2.9368    0.4245 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1390   -4.4965    0.5324 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2527   -5.2536    0.1903 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3341   -5.1254    1.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3965   -6.4200    1.5125 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6130   -6.8424    2.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7168   -5.9720    1.9853 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6200   -4.6748    1.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3931   -4.2594    0.9261 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8901   -2.9393    0.4098 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6417   -1.9876    0.1996 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9297   -2.1271    1.7171 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4377   -2.7467    3.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6980   -2.5230    3.5871 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0874   -3.2448    4.7263 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2228   -4.1637    5.3251 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9559   -4.3667    4.7961 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5735   -3.6668    3.6594 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9655   -0.5362    1.5228 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6101    0.0788    2.8421 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5288   -0.2502    3.3516 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4370    0.8435    3.3500 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3616    1.5268   -0.9693 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    2.2840   -1.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3547    2.9028    2.1780 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6736    1.6424    2.4093 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8213    0.4770   -0.3609 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1053   -0.8100   -1.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4108   -0.7282    0.4238 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2306   -1.8912    1.3616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1011   -2.2350   -1.3260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4595   -3.0200    0.2180 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7749   -4.5678   -1.2898 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5502   -4.1706    0.2312 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1607   -2.7961   -2.4565 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1099   -4.1435   -1.9509 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3519   -2.1990   -2.5393 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5161   -7.0553    1.5342 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6954   -7.8341    2.4668 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6548   -6.3147    2.4223 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4838   -4.0185    1.4357 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8836   -2.3408    1.8386 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4092   -1.8265    3.1461 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0773   -3.0972    5.1535 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5295   -4.7190    6.2081 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2654   -5.0674    5.2567 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5774   -3.8599    3.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0059   -0.2314    1.3376 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7830    1.1374   -1.8957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2536    2.4425   -2.0844 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 38  2  0  0  0  0
  4  5  2  0  0  0  0
  4 39  1  0  0  0  0
  5  6  1  0  0  0  0
  5 40  1  0  0  0  0
  6  7  1  0  0  0  0
  6 37  2  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  7 41  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 42  1  0  0  0  0
  9 10  1  0  0  0  0
  9 43  1  0  0  0  0
  9 44  1  0  0  0  0
 10 11  1  0  0  0  0
 10 45  1  0  0  0  0
 10 46  1  0  0  0  0
 11 12  1  0  0  0  0
 11 47  1  0  0  0  0
 11 48  1  0  0  0  0
 12 13  1  0  0  0  0
 12 49  1  0  0  0  0
 12 50  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 51  1  0  0  0  0
 15 16  1  0  0  0  0
 15 24  1  0  0  0  0
 15 26  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 23  2  0  0  0  0
 19 20  2  0  0  0  0
 19 52  1  0  0  0  0
 20 21  1  0  0  0  0
 20 53  1  0  0  0  0
 21 22  2  0  0  0  0
 21 54  1  0  0  0  0
 22 23  1  0  0  0  0
 22 55  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
 26 33  1  0  0  0  0
 26 56  1  0  0  0  0
 27 28  1  0  0  0  0
 27 32  2  0  0  0  0
 28 29  2  0  0  0  0
 28 57  1  0  0  0  0
 29 30  1  0  0  0  0
 29 58  1  0  0  0  0
 30 31  2  0  0  0  0
 30 59  1  0  0  0  0
 31 32  1  0  0  0  0
 31 60  1  0  0  0  0
 32 61  1  0  0  0  0
 33 34  1  0  0  0  0
 33 62  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  2  0  0  0  0
 37 38  1  0  0  0  0
 37 63  1  0  0  0  0
 38 64  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-02-28, 2043👍, 0💬