Molecule FYI-1015437

A

Molecule Summary:

ID: FYI-1015437
Names:
InChIKey: JXGBKBGMDZDRRS-BJMVGYQFSA-N
SMILES: Cc2c(C(=O)/C=C/c1ccc(C(F)(F)F)cc1)nnn2c4ccc3c(cnn3C)c4

Received at FYIcenter.com on: 2025-09-02

Molecule ID: FYI-1015437 Edit

Molecule Structure InChIKey: JXGBKBGMDZDRRS-BJMVGYQFSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1015437
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
   11.2695    5.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9785    3.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    2.4248    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8458    1.9201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2153    1.6289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    2.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3076    2.9878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8771    4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2693    4.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0922    3.2805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5228    2.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5632    1.0647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7757    1.7647    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.4846    3.1341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.4214    4.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1305    1.8552    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 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 12  1  0  0  0  0
 16 11  1  0  0  0  0
 17 16  2  0  0  0  0
 17  8  1  0  0  0  0
 18  3  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 20  2  1  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
 25 24  1  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
 28 24  1  0  0  0  0
 29 28  1  0  0  0  0
 30 25  2  0  0  0  0
 30 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015437-3D
FYIcenter.com

 46 49  0  0  0  0  0  0  0  0999 V2000
    0.6122   -0.0735   -0.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0605    0.0575    0.2439 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -0.8656    0.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0586   -2.3204    0.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0321   -2.9804   -0.0513 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4189   -2.9414    0.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6626   -4.2541    0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0559   -4.7122    0.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6166   -5.0324    1.3263 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9734   -5.3670    1.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7941   -5.3836    0.2931 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2608   -5.7341    0.3887 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6737   -6.0168    1.6564 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.5862   -6.8250   -0.3595 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0690   -4.7284   -0.0488 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.2268   -5.0591   -0.9498 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8696   -4.7244   -1.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2863   -0.1794    0.3636 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0325    1.1141    0.4003 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6947    1.2783    0.4516 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1313    2.5650    0.6178 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7720    3.6748    0.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1701    4.9396    0.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9194    5.0508    0.7004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3004    3.9685    1.3233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9071    4.4878    1.8359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0679    5.7806    1.5563 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0516    6.0995    0.8753 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2377    7.4584    0.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9241    2.7142    1.3164 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3526   -1.0721   -0.4216 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3323    0.6316   -0.8563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0128    0.1254    0.8101 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2559   -2.2706    0.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8850   -4.9951   -0.1473 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0089   -5.0046    2.2285 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3880   -5.6024    2.4099 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8470   -5.0531   -1.8457 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4631   -4.4546   -2.0241 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7217    3.5596   -0.4728 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6473    5.7885   -0.4067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6791    3.9657    2.3854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6978    8.0112    0.5460 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5223    7.4447   -0.6294 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0226    7.9119    1.0342 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4743    1.8968    1.8698 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  2  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3 18  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 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  2  0  0  0  0
  9 10  2  0  0  0  0
  9 36  1  0  0  0  0
 10 11  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 30  2  0  0  0  0
 22 23  2  0  0  0  0
 22 40  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  2  0  0  0  0
 24 28  1  0  0  0  0
 25 26  1  0  0  0  0
 25 30  1  0  0  0  0
 26 27  2  0  0  0  0
 26 42  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 43  1  0  0  0  0
 29 44  1  0  0  0  0
 29 45  1  0  0  0  0
 30 46  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-11-06, 466👍, 0💬