Molecule Editor

Molecule ID: FYI-1004965 Edit

Molecule Structure InChIKey: WINHZLLDWRZWRT-SFQUDFHCSA-N

Molecule Structure SMILES String: CCN(CC)CCNC(=O)c3c(C)[nH]c(C=c1c(=O)[nH]c2ccc(F)cc12)c3C

Download SDF Download SVG Structure in 2D SDF:

FYI-1004965
FYIcenter.com

 29 31  0  0  0  0  0  0  0  0999 V2000
   15.3128    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1005    5.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8879    6.3001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8879    7.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6755    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6755    5.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4631    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2507    5.6001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0382    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0382    7.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8258    5.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5469    6.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6100    5.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3100    3.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6795    4.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7198    3.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7407    2.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3484    2.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4115    3.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    5.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4252    5.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579    4.9242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5716    7.1394    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2789    1.5701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6484    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2177    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2557    7.5390    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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 11  1  0  0  0  0
 16 15  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 25 23  1  0  0  0  0
 26 20  1  0  0  0  0
 27 26  1  0  0  0  0
 27 18  1  0  0  0  0
 28 27  2  0  0  0  0
 29 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004965-3D
FYIcenter.com

 56 58  0     0  0  0  0  0  0999 V2000
    2.9921    3.6245    0.3119 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4331    1.2513    1.3280 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9921   -3.1757   -0.8245 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4597    0.2324   -0.5017 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1005   -1.0489    1.8045 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7509   -0.1098   -0.5056 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7623   -0.9435   -0.8911 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1642   -0.3403   -0.1596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7134   -0.2676    0.7888 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1578   -0.8041   -0.1913 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2462   -1.2666    0.4734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0475    0.4250   -0.8543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1053   -0.4320    2.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5369   -0.4754    0.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6769    0.1904   -1.9492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9981    0.3426    0.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5903   -1.2710   -0.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4573   -1.9090    0.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8605    0.1625   -0.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0840   -0.8450   -1.6491 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1928    0.3056   -0.6204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5444   -0.0665    3.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   -1.9760   -0.6867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3323   -0.4449    1.6983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9952    0.8452   -2.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0970    1.2690    0.0984 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8080    1.5385   -0.7150 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7007    2.5280    0.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0431    2.6613   -0.3931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9653   -0.2659    0.9148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1101   -1.4054   -0.4229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0797    0.3305   -1.9422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0773    1.4896   -0.5957 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7644   -1.2941    2.5276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4985    0.0168    0.0156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6284   -1.5154   -0.1445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9242    0.7775   -2.4818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6419   -0.8334   -2.3422 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4172   -2.9928   -0.0262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4358   -0.9117   -1.0382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7003   -1.7078   -1.9201 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8585   -0.9379   -2.2006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5600    0.0720   -2.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0930   -0.5177    4.1426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5123    1.0196    3.5081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5693   -0.4059    3.5562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2557   -0.7585    2.1986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0952    0.5625    2.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5518   -1.1367    2.0296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8585    0.2184   -2.0821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1164    1.8218   -1.8444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0274    1.0100   -3.4089 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7208   -1.0675   -1.1953 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0649    1.2212    0.4107 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8416    1.6396   -1.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4870    3.6514   -0.4534 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 28  1  0  0  0  0
  2 16  2  0  0  0  0
  3 23  2  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
  5 34  1  0  0  0  0
  6 12  1  0  0  0  0
  6 16  1  0  0  0  0
  6 40  1  0  0  0  0
  7 21  1  0  0  0  0
  7 23  1  0  0  0  0
  7 53  1  0  0  0  0
  8 12  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  2  0  0  0  0
  9 16  1  0  0  0  0
 10 11  2  0  0  0  0
 10 20  1  0  0  0  0
 11 18  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 22  1  0  0  0  0
 14 24  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 25  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 23  1  0  0  0  0
 18 39  1  0  0  0  0
 19 21  2  0  0  0  0
 19 26  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 27  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
 26 28  2  0  0  0  0
 26 54  1  0  0  0  0
 27 29  2  0  0  0  0
 27 55  1  0  0  0  0
 28 29  1  0  0  0  0
 29 56  1  0  0  0  0
M  END
$$$$