Molecule FYI-1004222

A

Molecule Summary:

ID: FYI-1004222
Names:
InChIKey: NBODZAIMZBEDIJ-UHFFFAOYSA-N
SMILES: O=C(Nc3cccc(NC(=O)c1cccc2cc(O)ccc12)c3)c4ccccc4

Received at FYIcenter.com on: 2023-08-23

Molecule ID: FYI-1004222 Edit

Molecule Structure InChIKey: NBODZAIMZBEDIJ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Nc3cccc(NC(=O)c1cccc2cc(O)ccc12)c3)c4ccccc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1004222
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6998    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    4.1999    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  2  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  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  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 14  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 18  8  1  0  0  0  0
 18 12  2  0  0  0  0
 19  7  2  0  0  0  0
 20  5  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22  3  1  0  0  0  0
 23  1  2  0  0  0  0
  1 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004222-3D
FYIcenter.com

 47 50  0  0  0  0  0  0  0  0999 V2000
    1.1883    0.0237    0.3548 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3373    0.0935   -0.0662 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9267    1.2018   -0.6690 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3004    2.4614   -0.8424 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1409    2.8364   -0.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5504    4.0747   -0.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1091    4.9673   -1.2758 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2713    4.6510   -1.9715 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8964    5.5366   -2.8930 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3895    6.7839   -3.3159 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3047    7.2516   -2.9855 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3056    7.6653   -4.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1627    9.0454   -3.8460 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9621    9.9916   -4.4802 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0171    9.5559   -5.2561 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1735    8.1945   -5.5071 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2435    7.8176   -6.2937 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0597    6.7978   -7.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8373    6.7702   -8.3096 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0639    5.8677   -6.9663 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2160    6.0261   -5.8482 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2124    7.2411   -5.1151 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8888    3.3881   -1.7238 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1581   -1.1429    0.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5010   -2.3799   -0.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2078   -3.5774    0.0273 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5822   -3.5425    0.2727 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2403   -2.3175    0.3993 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5328   -1.1164    0.2714 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6910    2.1806    0.5908 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5986    5.9166   -1.3993 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6610   10.2849   -5.7471 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4254   -2.4125   -0.2657 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6904   -4.5281   -0.0535 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1331   -4.4736    0.3851 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3058   -2.3021    0.6177 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0559   -0.1774    0.4236 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  2  0  0  0  0
  5  6  2  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  2  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
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 12 22  2  0  0  0  0
 13 14  2  0  0  0  0
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 14 36  1  0  0  0  0
 15 16  2  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  2  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  2  0  0  0  0
 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 21 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 25  1  0  0  0  0
 24 29  2  0  0  0  0
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 25 43  1  0  0  0  0
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 27 45  1  0  0  0  0
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 28 46  1  0  0  0  0
 29 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-10, 1474👍, 0💬