Molecule FYI-1007905

A

Molecule Summary:

ID: FYI-1007905
Names:
InChIKey: GBCWOHXLDMHNTN-UHFFFAOYSA-N
SMILES: O=[N+](O)c4cccc(Nc3nccc(Nc2ccc(CN1CCOCC1)cc2Cl)n3)c4

Received at FYIcenter.com on: 2024-03-20

Molecule ID: FYI-1007905 Edit

Molecule Structure InChIKey: GBCWOHXLDMHNTN-UHFFFAOYSA-N

Molecule Structure SMILES String: O=[N+](O)c4cccc(Nc3nccc(Nc2ccc(CN1CCOCC1)cc2Cl)n3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007905
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 O   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
    3.6373    7.0000    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
    4.8497    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
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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
    4.8497    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.4871    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   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  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  8  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  2  0  0  0  0
 16 11  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
 25 21  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 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007905-3D
FYIcenter.com

 53 56  0  0  0  0  0  0  0  0999 V2000
   11.5241   10.4605    4.6703 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4529    9.9081    4.5194 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.3330   10.5260    5.0214 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3689    8.6164    3.8782 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5460    7.9604    3.5046 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4783    6.6905    2.9463 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2389    6.0737    2.7765 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0456    6.7114    3.1499 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7978    6.0777    3.0065 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5461    4.7090    3.1431 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4801    4.1874    2.5321 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2406    2.8810    2.7707 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010    2.0942    3.6104 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0658    2.7112    4.2201 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7973    2.0538    5.2274 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6069    2.6375    6.2373 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4985    3.9977    6.5604 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1616    4.5580    7.6473 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8875    3.7577    8.5246 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3641    4.3599    9.8237 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3838    4.4491   10.9128 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9058    3.1696   11.4465 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6582    2.6202   10.7410 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5801    3.5573   10.8219 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9339    4.8041   10.2124 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2614    5.3877   10.7497 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0762    2.4071    8.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4437    1.8586    7.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6859    0.1760    6.7246 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.3443    3.9944    3.9427 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1192    8.0076    3.6761 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7797   11.2967    5.4095 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5170    8.4263    3.6593 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3665    2.4769    2.2683 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7334    1.0676    3.8163 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0623    1.1037    4.9924 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0331    5.6199    7.8417 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7566    5.3657    9.6170 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2403    3.8016   10.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6328    3.3542   12.4946 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7083    2.4249   11.4692 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3342    1.7038   11.2434 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8358    2.3599    9.6955 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1213    5.5025   10.4435 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9402    4.6836    9.1264 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0423    5.7648   11.7576 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5483    6.2741   10.1717 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6782    1.7684    8.8364 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2062    8.5148    3.9798 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  4  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  2  0  0  0  0
  5  6  2  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  2  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
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 13 14  2  0  0  0  0
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 14 15  1  0  0  0  0
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 15 16  1  0  0  0  0
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 16 17  1  0  0  0  0
 16 28  2  0  0  0  0
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 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
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 20 21  1  0  0  0  0
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 20 43  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 23 24  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 50  1  0  0  0  0
 26 51  1  0  0  0  0
 27 28  1  0  0  0  0
 27 52  1  0  0  0  0
 28 29  1  0  0  0  0
 31 53  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-04-14, 146👍, 0💬