Molecule FYI-1015886

A

Molecule Summary:

ID: FYI-1015886
Names:
InChIKey: CSVHWUWLQXYWLW-AQTBWJFISA-N
SMILES: CCN(CC)CCNC(=O)c3c(C)[nH]c(/C=C\\2CC(c1ccc(F)cc1)NC2=O)c3C

Received at FYIcenter.com on: 2025-10-28

Molecule ID: FYI-1015886 Edit

Molecule Structure InChIKey: CSVHWUWLQXYWLW-AQTBWJFISA-N

Molecule Structure SMILES String: CCN(CC)CCNC(=O)c3c(C)[nH]c(/C=C\2CC(c1ccc(F)cc1)NC2=O)c3C

Download SDF Download SVG Structure in 2D SDF:

FYI-1015886
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
   12.6102    3.4989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9013    4.8684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9645    5.9087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6645    7.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0340    6.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0744    7.7669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7833    9.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8236   10.0730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1552    9.6404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1955   10.5771    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   17.4462    8.2711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4059    7.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1803    5.4377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5722    5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0029    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6334    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5930    5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    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
    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
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    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
    9.7660    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0570    0.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    3.2710    0.0000 N   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  1  0  0  0  0
  5  4  1  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
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 12  6  1  0  0  0  0
 13  5  1  0  0  0  0
 13  2  1  0  0  0  0
 14  3  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
 27 26  1  0  0  0  0
 28 19  2  0  0  0  0
 29 18  2  0  0  0  0
 30 29  1  0  0  0  0
 31 29  1  0  0  0  0
 31 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015886-3D
FYIcenter.com

 62 64  0  0  1  0  0  0  0  0999 V2000
    4.8019    1.8963   -1.5223 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4595    0.4120   -1.4542 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8785   -0.2761   -0.2191 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3608    0.3544    1.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8452    0.3320    1.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5279   -1.7164   -0.2665 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1253   -2.5087   -1.4457 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5698   -2.5061   -1.4866 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2238   -3.1708   -2.5008 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6150   -3.7698   -3.3831 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6859   -3.0938   -2.4823 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5193   -2.9658   -1.3729 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2932   -2.9109    0.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8117   -2.9960   -1.8249 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8712   -3.2527   -3.1645 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1246   -3.4381   -3.8078 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2366   -3.9648   -3.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5197   -4.1649   -4.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5620   -4.4705   -2.9556 C   0  0  3  0  0  0  0  0  0  0  0  0
   16.4638   -3.2893   -2.6439 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9509   -2.0574   -2.1934 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7965   -0.9698   -1.9787 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1613   -1.1107   -2.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9724   -0.0597   -2.0136 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.6954   -2.3230   -2.6153 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8502   -3.4131   -2.8329 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7972   -4.8634   -1.8127 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4970   -4.4525   -1.8717 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7526   -4.4115   -0.9113 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5618   -3.2609   -3.6276 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1086   -3.4852   -5.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6904    2.2471   -2.5545 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8371    2.0830   -1.2197 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1342    2.4965   -0.8974 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9816   -0.0398   -2.3032 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3863    0.2803   -1.6359 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7075    1.3929    1.0637 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8283   -0.1295    1.8803 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2984    0.6241    0.3137 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    1.0349    2.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5010   -0.6612    1.5208 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4391   -1.8404   -0.3094 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8728   -2.1915    0.6614 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7572   -2.1367   -2.4071 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8013   -3.5543   -1.3788 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0706   -1.7916   -0.9736 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2418   -3.0045    0.3746 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6741   -1.9684    0.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8271   -3.7321    0.5861 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6132   -3.0203   -1.2029 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1575   -3.1724   -4.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7850   -3.2983   -4.6575 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4050   -5.0350   -4.6992 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1703   -5.3340   -3.2513 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8877   -1.9249   -2.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4013   -0.0158   -1.6472 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7660   -2.4107   -2.7743 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2827   -4.3539   -3.1643 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1990   -5.0705   -0.9073 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9500   -3.5763   -5.7251 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4876   -2.6498   -5.3714 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5249   -4.4084   -5.1036 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  2 35  1  0  0  0  0
  2 36  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4 37  1  0  0  0  0
  4 38  1  0  0  0  0
  5 39  1  0  0  0  0
  5 40  1  0  0  0  0
  5 41  1  0  0  0  0
  6  7  1  0  0  0  0
  6 42  1  0  0  0  0
  6 43  1  0  0  0  0
  7  8  1  0  0  0  0
  7 44  1  0  0  0  0
  7 45  1  0  0  0  0
  8  9  1  0  0  0  0
  8 46  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 47  1  0  0  0  0
 13 48  1  0  0  0  0
 13 49  1  0  0  0  0
 14 15  1  0  0  0  0
 14 50  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  2  0  0  0  0
 16 17  2  0  0  0  0
 16 51  1  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 18 52  1  0  0  0  0
 18 53  1  0  0  0  0
 19 20  1  0  0  0  0
 19 27  1  0  0  0  0
 19 54  1  0  0  0  0
 20 21  1  0  0  0  0
 20 26  2  0  0  0  0
 21 22  2  0  0  0  0
 21 55  1  0  0  0  0
 22 23  1  0  0  0  0
 22 56  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 57  1  0  0  0  0
 26 58  1  0  0  0  0
 27 28  1  0  0  0  0
 27 59  1  0  0  0  0
 28 29  2  0  0  0  0
 30 31  1  0  0  0  0
 31 60  1  0  0  0  0
 31 61  1  0  0  0  0
 31 62  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-11-06, 577👍, 0💬