Molecule FYI-1014344

A

Molecule Summary:

ID: FYI-1014344
Names:
InChIKey: WAYMHHKPKYZWDQ-UHFFFAOYSA-O
SMILES: CCN(CCCn1c(=O)ccc1=O)c5cc(OC)c(C4c2ccc(N(C)C)cc2[OH+]c3cc(N(C)C)ccc34)cc5N(C)C

Received at FYIcenter.com on: 2025-04-03

Molecule ID: FYI-1014344 Edit

Molecule Structure InChIKey: WAYMHHKPKYZWDQ-UHFFFAOYSA-O

Molecule Structure SMILES String: CCN(CCCn1c(=O)ccc1=O)c5cc(OC)c(C4c2ccc(N(C)C)cc2[OH+]c3cc(N(C)C)ccc34)cc5N(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1014344
FYIcenter.com

 44 48  0  0  0  0  0  0  0  0999 V2000
    5.8531    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4283    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4283    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656   10.5000    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    9.4903    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0034    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4283    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4283    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    3.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    1.5305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    4.4291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6458    0.1611    0.0000 O   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
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  2 10  1  0  0  0  0
  1  7  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  9 14  1  0  0  0  0
  8 11  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
  4 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
  7 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 22 30  1  0  0  0  0
 30 31  1  0  0  0  0
 24 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 38 42  1  0  0  0  0
 38 39  1  0  0  0  0
 39 43  2  0  0  0  0
 42 44  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014344-3D
FYIcenter.com

 88 92  0  0  0  0  0  0  0  0999 V2000
    1.4197    1.5038   -2.8486 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917    2.0602   -1.5134 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7116    1.0956   -0.7525 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1670    0.5443    0.5047 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7950   -0.1037    0.2886 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2046   -0.6979    1.5677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1284   -1.2245    1.3110 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2528   -0.4683    1.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3902    0.7135    1.5296 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3470   -1.3128    0.8209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8417   -2.5262    0.5417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3965   -2.4547    0.8109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6126   -3.3546    0.5708 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1148    1.1074   -0.9339 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7931   -0.1286   -0.8919 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0775   -0.2695   -1.4184 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7993   -1.4400   -1.4243 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1930   -2.6293   -0.9438 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7003    0.8122   -2.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8728    0.4596   -2.9913 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0533    1.3840   -3.4087 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1032    2.6593   -3.9634 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2844    3.0653   -4.6815 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4727    2.2896   -4.7195 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6332    2.6056   -5.4204 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5690    3.4096   -6.6482 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7959    1.6908   -5.4489 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3948    1.1089   -4.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1326    0.5789   -3.8202 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8223   -0.4186   -4.7719 O   0  3  0  0  0  0  0  0  0  0  0  0
    8.5176   -0.3404   -5.2343 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2074    0.0826   -6.5309 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8650    0.2026   -6.9258 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4625    0.9598   -8.0122 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0748    1.4309   -8.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2589    1.1314   -9.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9173   -0.3688   -6.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2055   -0.5669   -4.7173 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4914   -0.2950   -4.2915 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1150    2.0753   -1.9616 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8744    2.2662   -1.2942 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4986    3.5601   -0.9256 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6226    4.7029   -1.8148 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8286    3.7950    0.3541 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0567    2.3304   -3.4726 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5921    0.8009   -2.7220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2248    1.0047   -3.3963 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0255    2.3807   -0.9244 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4133    2.9813   -1.7520 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0885    1.3512    1.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8339   -0.2096    0.9391 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8697   -0.8849   -0.4769 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0842    0.6348   -0.0977 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1263    0.0735    2.3460 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8368   -1.5078    1.9449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3640   -0.9788    0.7133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3492   -3.3840    0.1509 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2648   -0.9992   -0.5205 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8917   -3.4476   -1.1499 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2683   -2.8430   -1.4853 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0355   -2.5871    0.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4219   -0.2738   -2.3806 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2226    3.2983   -4.0129 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2341    4.0095   -5.2236 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8170    4.1981   -6.6312 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3844    2.7623   -7.5161 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5394    3.8952   -6.8105 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9170    1.0658   -4.5611 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7204    2.2727   -5.5129 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7460    1.0288   -6.3239 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2332    0.4344   -3.9081 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9735   -1.2832   -4.3291 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0042    0.4793   -7.1551 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5777    1.5308   -7.1412 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4907    0.7530   -8.7431 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0430    2.4326   -8.5579 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3324    1.0079   -9.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1135    2.1395   -9.6263 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9327    0.4116   -9.9754 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8881   -0.5095   -6.3843 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3874   -0.7699   -4.0328 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6397    2.9432   -2.3432 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1462    4.4808   -2.7481 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1546    5.5147   -1.3081 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6265    5.0723   -2.0846 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9338    2.9606    1.0549 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7631    4.0068    0.2128 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2646    4.6716    0.8453 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 45  1  0  0  0  0
  1 46  1  0  0  0  0
  1 47  1  0  0  0  0
  2  3  1  0  0  0  0
  2 48  1  0  0  0  0
  2 49  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4 50  1  0  0  0  0
  4 51  1  0  0  0  0
  5  6  1  0  0  0  0
  5 52  1  0  0  0  0
  5 53  1  0  0  0  0
  6  7  1  0  0  0  0
  6 54  1  0  0  0  0
  6 55  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 56  1  0  0  0  0
 11 12  1  0  0  0  0
 11 57  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 14 41  2  0  0  0  0
 15 16  2  0  0  0  0
 15 58  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 18 59  1  0  0  0  0
 18 60  1  0  0  0  0
 18 61  1  0  0  0  0
 19 20  1  0  0  0  0
 19 40  2  0  0  0  0
 20 21  1  0  0  0  0
 20 39  1  0  0  0  0
 20 62  1  0  0  0  0
 21 22  1  0  0  0  0
 21 29  2  0  0  0  0
 22 23  2  0  0  0  0
 22 63  1  0  0  0  0
 23 24  1  0  0  0  0
 23 64  1  0  0  0  0
 24 25  1  0  0  0  0
 24 28  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 65  1  0  0  0  0
 26 66  1  0  0  0  0
 26 67  1  0  0  0  0
 27 68  1  0  0  0  0
 27 69  1  0  0  0  0
 27 70  1  0  0  0  0
 28 29  1  0  0  0  0
 28 71  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 72  1  0  0  0  0
 31 32  1  0  0  0  0
 31 39  2  0  0  0  0
 32 33  2  0  0  0  0
 32 73  1  0  0  0  0
 33 34  1  0  0  0  0
 33 37  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 74  1  0  0  0  0
 35 75  1  0  0  0  0
 35 76  1  0  0  0  0
 36 77  1  0  0  0  0
 36 78  1  0  0  0  0
 36 79  1  0  0  0  0
 37 38  2  0  0  0  0
 37 80  1  0  0  0  0
 38 39  1  0  0  0  0
 38 81  1  0  0  0  0
 40 41  1  0  0  0  0
 40 82  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
 43 83  1  0  0  0  0
 43 84  1  0  0  0  0
 43 85  1  0  0  0  0
 44 86  1  0  0  0  0
 44 87  1  0  0  0  0
 44 88  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-26, 1914👍, 0💬