Molecule Editor

Molecule ID: FYI-1005713 Edit

Molecule Structure InChIKey: JHDCEARDYHJUHL-YFDDZYMSSA-N

Molecule Structure SMILES String: CCCN3C[C@H](C(=C=O)C1CCNCC1)C=C2C5C=CC=C4NC=C(C[C@H]23)C45

Download SDF Download SVG Structure in 2D SDF:

FYI-1005713
FYIcenter.com

 28 32  0  0  1  0  0  0  0  0999 V2000
    7.2599    7.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    6.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6800    7.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    6.3513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8400    7.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6299    6.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6299    4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8400    4.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8400    2.8584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7135    1.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8596    0.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1359    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3404    0.7932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7300    0.6470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2983    1.9235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2599    2.8584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2599    4.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    2.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4199    7.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2100    6.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4199    8.4471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6299    9.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6299   10.5429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4199   11.2415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2100   10.5429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2100    9.1457    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  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  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 17  1  0  0  0  0
 18  4  1  6  0  0  0
 18  8  1  0  0  0  0
 19 16  1  0  0  0  0
 19  9  1  0  0  0  0
 19 13  1  0  0  0  0
  6 20  1  1  0  0  0
 21 20  2  0  0  0  0
 22 21  2  0  0  0  0
 23 20  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  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
 28 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005713-3D
FYIcenter.com

 59 63  0  0  1  0  0  0  0  0999 V2000
   12.1679    6.2888   -3.7977 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1703    6.2808   -2.6495 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7190    6.1965   -3.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6860    6.1822   -2.0917 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7103    7.4168   -1.2842 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5420    7.4504   -0.2765 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3278    8.7304    0.5271 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2954    9.5827    0.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1753   10.3566    0.8277 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9684    8.8690    1.2468 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7480    8.8852    0.3028 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5660   10.2329   -0.3889 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4291   11.3178    0.5807 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5885   11.3928    1.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8351   10.0740    2.2058 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6137    6.2400    0.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9539    5.0448    0.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4383    3.8120    0.8083 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.2811    3.2713    1.9331 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1479    1.9965    2.3435 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4097    1.0035    1.5811 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9463    1.3201    0.3614 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1518    0.5072   -0.7547 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5186    1.3258   -1.8164 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4681    2.6296   -1.4962 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678    3.8587   -2.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5994    4.9041   -1.3219 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8489    2.7543   -0.1330 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.1876    6.3374   -3.4014 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0160    7.1584   -4.4448 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0819    5.3827   -4.4046 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3262    7.1963   -2.0701 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4016    5.4357   -1.9940 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6058    5.3209   -3.7942 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5205    7.0523   -3.8051 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6010    8.2766   -1.9594 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6629    7.5290   -0.7542 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6349    7.3205   -0.8809 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8670    7.9788    1.8817 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8471    8.6679    0.8946 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7939    8.0921   -0.4496 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6611   10.2007   -1.0058 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4009   10.4362   -1.0696 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5855   11.1724    1.1364 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4112   12.1848    2.2066 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4706   11.6967    0.8986 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9820    9.8864    2.8744 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7112   10.1602    2.8569 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1977    6.2848    1.6016 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5518    4.1723    1.3623 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9087    3.9557    2.4954 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7163    1.6297    3.1936 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5992   -0.0350    1.8352 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3959   -0.1399   -0.9662 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8591    0.8665   -2.7339 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9626    4.3099   -2.6530 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5121    3.5764   -3.0678 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6122    4.5303   -1.1236 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7873    3.0042   -0.2907 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
  2 33  1  0  0  0  0
  3  4  1  0  0  0  0
  3 34  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 36  1  0  0  0  0
  5 37  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  6 38  1  6  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 39  1  0  0  0  0
 11 12  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 13  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 14  1  0  0  0  0
 13 44  1  0  0  0  0
 14 15  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 15 47  1  0  0  0  0
 15 48  1  0  0  0  0
 16 17  2  0  0  0  0
 16 49  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 18 50  1  0  0  0  0
 19 20  2  0  0  0  0
 19 51  1  0  0  0  0
 20 21  1  0  0  0  0
 20 52  1  0  0  0  0
 21 22  2  0  0  0  0
 21 53  1  0  0  0  0
 22 23  1  0  0  0  0
 22 28  1  0  0  0  0
 23 24  1  0  0  0  0
 23 54  1  0  0  0  0
 24 25  2  0  0  0  0
 24 55  1  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  1  0  0  0  0
 26 56  1  0  0  0  0
 26 57  1  0  0  0  0
 27 58  1  1  0  0  0
 28 59  1  0  0  0  0
M  END
$$$$