Molecule FYI-1013537

A

Molecule Summary:

ID: FYI-1013537
Names:
InChIKey: HOYQQVSAAUUYMT-UHFFFAOYSA-N
SMILES: O=C(NO)c4ccc(Cn3c(=O)n(c1ccccc1)c(=O)c2ccccc23)cc4

Received at FYIcenter.com on: 2025-01-03

Molecule ID: FYI-1013537 Edit

Molecule Structure InChIKey: HOYQQVSAAUUYMT-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(NO)c4ccc(Cn3c(=O)n(c1ccccc1)c(=O)c2ccccc23)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1013537
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
   12.1244    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  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 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 15  2  0  0  0  0
 19 14  1  0  0  0  0
 20 19  2  0  0  0  0
 20 11  1  0  0  0  0
 21  2  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 22  1  0  0  0  0
 28 21  1  0  0  0  0
 28  9  1  0  0  0  0
 29 28  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013537-3D
FYIcenter.com

 46 49  0     0  0  0  0  0  0999 V2000
    1.6223   -1.3578   -1.7273 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3605    1.4132    1.6272 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5119   -2.5971    0.9896 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4396   -0.8369    1.6377 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5051    0.5702   -1.1431 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5609   -0.0181   -0.0571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2878   -0.4263    0.9509 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4756    1.8093   -0.4441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5821    0.2641   -2.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4919    2.1231    0.4550 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5613   -0.3500   -1.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5713    1.1582    0.7189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8285   -0.1720   -1.3599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5521    2.7507   -0.6376 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   -0.9613    0.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4897    3.3481    1.1431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5561    3.9690    0.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8018   -1.2973   -0.5363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0127    0.5477   -1.5194 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4666    4.2687    0.9361 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621   -0.5688   -0.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3614   -2.2616    0.5705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9593   -1.7032    0.1279 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3500   -1.4075    0.6611 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5315   -3.4836    0.7069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1807    0.5718    0.8087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5752   -0.0729    2.2232 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 12  2  0  0  0  0
  3 29  2  0  0  0  0
  4  7  1  0  0  0  0
  4 46  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  6 11  1  0  0  0  0
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  6 15  1  0  0  0  0
  7 29  1  0  0  0  0
  7 45  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  2  0  0  0  0
  9 13  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
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 10 16  2  0  0  0  0
 13 18  2  0  0  0  0
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 14 32  1  0  0  0  0
 15 21  2  0  0  0  0
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 16 20  1  0  0  0  0
 16 33  1  0  0  0  0
 17 20  2  0  0  0  0
 17 36  1  0  0  0  0
 18 23  1  0  0  0  0
 18 34  1  0  0  0  0
 19 24  2  0  0  0  0
 19 35  1  0  0  0  0
 20 37  1  0  0  0  0
 21 26  1  0  0  0  0
 21 38  1  0  0  0  0
 22 27  2  0  0  0  0
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 26 42  1  0  0  0  0
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 27 43  1  0  0  0  0
 28 44  1  0  0  0  0
M  END
$$$$

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2025-02-16, 631👍, 0💬