Molecule Editor

Molecule ID: FYI-1015290 Edit

Molecule Structure InChIKey: ZKYMQZZUCMZAJS-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(CCCc1n[nH]c(N)c1C#N)c3nc(c2cccnc2)nc4ccccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1015290
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.0000    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
    9.8458    4.9077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2153    4.6166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    5.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3076    5.9753    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9784    6.8694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2696    8.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5606    9.6082    0.0000 N   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 N   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
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    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
    8.4871    2.8000    0.0000 C   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
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    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
  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  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  2  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  3  0  0  0  0
 14  2  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  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
 23 14  1  0  0  0  0
 23 18  2  0  0  0  0
 24 16  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015290-3D
FYIcenter.com

 49 52  0     0  0  0  0  0  0999 V2000
   -0.7003   -2.0347    1.3308 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9068   -1.3527    1.0882 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2835    0.1843    0.8087 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2275    0.6612   -0.5331 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7818   -0.3557    0.8723 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1718    1.4722   -0.7014 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7031    4.6850    0.3513 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9949    0.5899   -2.8392 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6526   -1.6550    0.7632 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4401   -2.5721    0.6225 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8715   -2.1684   -0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750   -1.1245    0.6869 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0327   -1.2108    0.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6673   -1.6143   -0.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9507   -2.4422    2.6954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4895   -0.6537   -0.6347 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3471   -0.1318   -0.7594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9510   -2.9864   -0.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1389    1.0086    0.1829 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4915    0.4051   -0.2219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5927   -1.1058   -1.3547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0599   -3.4102   -0.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8649    2.4182    0.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8815   -2.4686   -1.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6025    0.2656   -1.9050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5630    2.8880    0.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8905    3.3493    0.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3299    4.2552    0.5195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4242    5.1042    0.4799 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9092   -1.5451    1.8251 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3967   -0.6483    0.4086 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6879   -3.5706    1.0035 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2007   -2.7070   -0.4401 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2514   -0.3890   -1.8414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2821   -4.4691   -0.9522 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2895    2.2136    0.4415 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8832    1.9855   -1.5286 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0141    1.8178   -0.2522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9335    3.0605    0.1655 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6766    4.6444    0.6219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2959    6.1791    0.5524 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  1 15  1  0  0  0  0
  2  5  1  0  0  0  0
  2 13  1  0  0  0  0
  2 39  1  0  0  0  0
  3 12  2  0  0  0  0
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  4 16  1  0  0  0  0
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  5 20  2  0  0  0  0
  6 20  1  0  0  0  0
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  7 27  1  0  0  0  0
  7 29  2  0  0  0  0
  8 25  3  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 13  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 14  1  0  0  0  0
 13 17  2  0  0  0  0
 14 16  1  0  0  0  0
 14 18  2  0  0  0  0
 15 36  1  0  0  0  0
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 15 38  1  0  0  0  0
 16 21  2  0  0  0  0
 17 20  1  0  0  0  0
 17 25  1  0  0  0  0
 18 22  1  0  0  0  0
 18 40  1  0  0  0  0
 19 23  1  0  0  0  0
 21 24  1  0  0  0  0
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 22 24  2  0  0  0  0
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 23 26  1  0  0  0  0
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 24 43  1  0  0  0  0
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 27 47  1  0  0  0  0
 28 29  1  0  0  0  0
 28 48  1  0  0  0  0
 29 49  1  0  0  0  0
M  END
$$$$