Molecule FYI-1009903

A

Molecule Summary:

ID: FYI-1009903
Names:
InChIKey: YTYGUUFVBJFSGT-UHFFFAOYSA-N
SMILES: Cc2c(c1ccc(F)c(F)c1)c(=O)[nH]c3c2ccn3c4ccccc4

Received at FYIcenter.com on: 2024-05-20

Molecule ID: FYI-1009903 Edit

Molecule Structure InChIKey: YTYGUUFVBJFSGT-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2c(c1ccc(F)c(F)c1)c(=O)[nH]c3c2ccn3c4ccccc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1009903
FYIcenter.com

 25 28  0  0  0  0  0  0  0  0999 V2000
    8.1593    5.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2225    4.5765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6551    3.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7183    2.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1509    0.8732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3489    2.4957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9163    3.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    4.8676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    6.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836    5.7890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.3966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0245    2.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4571    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8265    1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7633    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3306    3.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9613    3.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1327    2.0808    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.2591    0.0000    0.0000 F   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  1  0  0  0  0
  8  7  2  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 11  7  1  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  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  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
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 24 21  1  0  0  0  0
 25 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009903-3D
FYIcenter.com

 39 42  0  0  0  0  0  0  0  0999 V2000
    1.0058   -0.0949   -0.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5048    0.0610   -0.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1685    1.2420   -0.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4648    2.5347   -0.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1325    3.1925   -1.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4257    4.3985   -1.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0540    4.9449    0.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3619    6.0912    0.0729 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3904    4.3033    1.2327 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0271    4.8267    2.4112 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0961    3.1032    1.2127 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    1.2489   -0.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3760    2.2405   -0.0486 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3196   -0.0160   -0.0638 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5977   -1.1933   -0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2232   -1.1763   -0.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7834   -2.5142   -0.1688 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9123   -3.3063   -0.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0382   -2.5047   -0.1251 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3820   -2.9615   -0.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7165   -4.1214   -0.8475 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0437   -4.5466   -0.8962 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0332   -3.8374   -0.2162 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6989   -2.7025    0.5182 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3751   -2.2621    0.5628 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4737    0.8571   -0.1992 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6416   -0.5994    0.7768 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7078   -0.6833   -1.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4112    2.7732   -2.1752 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1573    4.9129   -2.0949 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3398    2.6275    2.1586 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3281   -0.0085   -0.1313 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7653   -2.8840   -0.2028 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9972   -4.3845   -0.2724 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9758   -4.6849   -1.4125 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3116   -5.4322   -1.4697 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0657   -4.1779   -0.2499 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4702   -2.1693    1.0705 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1466   -1.4160    1.2037 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  2  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  2  0  0  0  0
  5  6  2  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 33  1  0  0  0  0
 18 19  1  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  2  0  0  0  0
 21 22  2  0  0  0  0
 21 35  1  0  0  0  0
 22 23  1  0  0  0  0
 22 36  1  0  0  0  0
 23 24  2  0  0  0  0
 23 37  1  0  0  0  0
 24 25  1  0  0  0  0
 24 38  1  0  0  0  0
 25 39  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-05-29, 159👍, 0💬