Molecule Editor

Molecule ID: FYI-1015431 Edit

Molecule Structure InChIKey: IPWXZXLBBNIVOC-BJMVGYQFSA-N

Molecule Structure SMILES String: Cc2c(C(=O)/C=C/c1ccc(F)cc1)nnn2c4ccc3c(cnn3C)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1015431
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
   10.0571    4.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7659    2.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.3477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.8477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1477    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6333    0.8554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7028    1.7767    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    1.9230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6645    3.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0569    3.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8797    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3103    0.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3508    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5632    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2721    2.0693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.2088    3.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9180    0.7904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  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 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 14  8  1  0  0  0  0
 15  3  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 17  2  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 25 21  1  0  0  0  0
 26 25  1  0  0  0  0
 27 22  2  0  0  0  0
 27 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015431-3D
FYIcenter.com

 43 46  0  0  0  0  0  0  0  0999 V2000
    0.5340   -0.0612    0.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9864    0.0427    0.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0158   -0.8904    0.2899 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9554   -2.3390    0.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9221   -2.9848   -0.0649 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3016   -2.9710    0.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5464   -4.2770   -0.1849 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9444   -4.7325   -0.1923 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5623   -5.1322    1.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9237   -5.4513    1.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6640   -5.3704   -0.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9725   -5.6574   -0.1301 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0675   -4.9826   -1.3466 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7064   -4.6625   -1.3676 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2108   -0.2164    0.4074 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9703    1.0790    0.4917 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6359    1.2509    0.5795 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0747    2.5328    0.7893 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6591    3.6557    0.1888 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0234    4.9064    0.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7949    4.9835    0.9153 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2379    3.8886    1.5692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9738    4.3619    2.1111 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0258    7.3770    0.6906 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9035    2.6552    1.5491 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2403   -1.0689   -0.2506 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7600   -5.0063   -0.3447 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5033    1.8281    2.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 30  1  0  0  0  0
  2  3  2  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  2  0  0  0  0
  9 10  2  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
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 21 22  2  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  2  0  0  0  0
 23 39  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 40  1  0  0  0  0
 26 41  1  0  0  0  0
 26 42  1  0  0  0  0
 27 43  1  0  0  0  0
M  END
$$$$