Molecule FYI-1013686

A

Molecule Summary:

ID: FYI-1013686
Names:
InChIKey: RAEDLWHJZKEJLH-JLHYYAGUSA-N
SMILES: O=C(/C=C/c1ccc(N(=O)=O)o1)c5ccc(N(Cc2ccc(C(F)(F)F)cc2)c3ccnc4cc(Cl)ccc34)cc5

Received at FYIcenter.com on: 2025-01-21

Molecule ID: FYI-1013686 Edit

Molecule Structure InChIKey: RAEDLWHJZKEJLH-JLHYYAGUSA-N

Molecule Structure SMILES String: O=C(/C=C/c1ccc(N(=O)=O)o1)c5ccc(N(Cc2ccc(C(F)(F)F)cc2)c3ccnc4cc(Cl)ccc34)cc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1013686
FYIcenter.com

 41 45  0  0  0  0  0  0  0  0999 V2000
   16.8143    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.6019    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6019    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3894    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1770    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1770    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9646    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7522    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7522    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9646    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9646    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1770    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1770    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3894    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3894    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1770    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1770   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7770   10.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.1770   11.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.5770   10.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.9646    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9646    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7522    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7522    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5396    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3272    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1148    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9024    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6899    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4775    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1986    6.8694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2617    5.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9617    4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    3.3376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    2.2050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3312    4.9077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1148    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3272    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5396    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3894    0.0000    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  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  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  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
 19 17  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  1  0  0  0  0
 22 21  2  0  0  0  0
 22 13  1  0  0  0  0
 23 11  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 34 33  1  0  0  0  0
 35 34  2  0  0  0  0
 36 34  2  0  0  0  0
 37 33  1  0  0  0  0
 37 30  1  0  0  0  0
 38 27  2  0  0  0  0
 39 26  1  0  0  0  0
 40 39  2  0  0  0  0
 40 23  1  0  0  0  0
 41  6  2  0  0  0  0
 41  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013686-3D
FYIcenter.com

 60 64  0  0  0  0  0  0  0  0999 V2000
    1.4268    0.1082   -0.4967 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2195    0.9908    0.3305 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0983    1.9665    0.1632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7634    1.8420   -0.8621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7968    2.7957   -1.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7588    2.8334   -2.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5629    3.9907   -1.9059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0424    4.6060   -0.8001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4030    5.8116   -0.1215 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3462    6.4540   -0.6060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7530    6.1293    0.8813 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9980    3.9133   -0.2834 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435    1.1652    1.4924 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4955    0.8678    1.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4122    1.0550    2.3594 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0235    1.5521    3.6244 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9998    1.8460    4.6378 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1827    2.5663    4.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5041    1.8072    4.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6330    0.4399    4.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8931   -0.1789    4.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0546    0.5539    3.9673 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4262   -0.0777    4.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4124   -1.3856    4.4063 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.0753   -0.0433    2.8288 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.2482    0.5560    4.9101 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.9240    1.9105    3.6485 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6673    2.5243    3.6710 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8234    1.9404    6.0702 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3933    3.0127    6.7867 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3561    3.0490    8.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875    2.1027    8.9176 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1956    1.0892    8.2895 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6323    0.1487    9.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9539   -0.9497    8.6346 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2927   -2.1114    9.7164 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8247   -1.1113    7.2652 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4275   -0.1901    6.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1383    0.9460    6.8678 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6509    1.7845    3.8036 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7216    1.5957    2.7545 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0371    2.7950    0.8585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6753    1.0144   -1.5624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8769    2.0932   -2.8707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3977    4.3324   -2.5066 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8536    0.5034    0.3478 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4538    0.8123    2.1564 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3726    3.5139    4.5568 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9759    2.9071    3.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7587   -0.1602    4.5278 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9644   -1.2421    4.4848 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8057    2.5004    3.3978 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6051    3.5839    3.4255 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8695    3.8641    6.3221 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8085    3.8671    8.7213 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7350    0.2795   10.2104 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2688   -1.9556    6.8664 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3244   -0.3730    5.3313 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2791    2.1418    4.7610 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6689    1.7795    2.9524 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  2  0  0  0  0
  3 42  1  0  0  0  0
  4  5  1  0  0  0  0
  4 43  1  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 44  1  0  0  0  0
  7  8  2  0  0  0  0
  7 45  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
 13 14  1  0  0  0  0
 13 41  2  0  0  0  0
 14 15  2  0  0  0  0
 14 46  1  0  0  0  0
 15 16  1  0  0  0  0
 15 47  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  2  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 18 48  1  0  0  0  0
 18 49  1  0  0  0  0
 19 20  1  0  0  0  0
 19 28  2  0  0  0  0
 20 21  2  0  0  0  0
 20 50  1  0  0  0  0
 21 22  1  0  0  0  0
 21 51  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 27 28  1  0  0  0  0
 27 52  1  0  0  0  0
 28 53  1  0  0  0  0
 29 30  1  0  0  0  0
 29 39  2  0  0  0  0
 30 31  2  0  0  0  0
 30 54  1  0  0  0  0
 31 32  1  0  0  0  0
 31 55  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 39  1  0  0  0  0
 34 35  2  0  0  0  0
 34 56  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 57  1  0  0  0  0
 38 39  1  0  0  0  0
 38 58  1  0  0  0  0
 40 41  1  0  0  0  0
 40 59  1  0  0  0  0
 41 60  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-02-16, 717👍, 0💬