Molecule FYI-1015065

A

Molecule Summary:

ID: FYI-1015065
Names:
InChIKey: LQVMICULJUDKED-UHFFFAOYSA-N
SMILES: O=[N+](O)c1ccccc1C3=NCC2=NCCN2c4ccc(Cl)cc34

Received at FYIcenter.com on: 2025-06-21

Molecule ID: FYI-1015065 Edit

Molecule Structure InChIKey: LQVMICULJUDKED-UHFFFAOYSA-N

Molecule Structure SMILES String: O=[N+](O)c1ccccc1C3=NCC2=NCCN2c4ccc(Cl)cc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1015065
FYIcenter.com

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.4790    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2664    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4790    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6913    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6913    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9946    4.0114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4073    5.3492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6186    6.5060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2225    6.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2703    5.5843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5408    7.8334    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672    7.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0209    3.0592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7093    1.6943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7356    0.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0734    1.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3849    2.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3587    3.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6702    4.8367    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4791    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.0080    5.2494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6439    5.7890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 11  1  0  0  0  0
  5  7  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 11 14  1  0  0  0  0
 10 12  2  0  0  0  0
  7 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 20 21  1  0  0  0  0
  1 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015065-3D
FYIcenter.com

 38 41  0  0  0  0  0  0  0  0999 V2000
    5.7783   -4.6796   -0.0619 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7731   -3.9963   -0.0360 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.5495   -4.6286   -0.0327 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8430   -2.6090   -0.4142 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4211   -2.3208   -1.6622 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3016   -1.0466   -2.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5690   -0.0774   -1.5341 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0322   -0.3553   -0.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2200   -1.6063    0.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6751   -1.8478    1.7329 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7620   -3.0294    2.2597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7260   -3.3649    3.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4124   -3.1797    2.4881 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9027   -4.1583    1.7816 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0132   -3.4519    0.8153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1247   -1.9899    1.2748 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8442   -1.9287    2.3493 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5732   -0.7563    2.5667 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9448    0.3892    3.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6950    1.4933    3.4917 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0866    1.4589    3.4204 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0085    2.7849    4.0102 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7362    0.3598    2.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9715   -0.7199    2.4168 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8475   -5.5005    0.2691 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9334   -3.1021   -2.2202 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7442   -0.8224   -3.1746 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4111    0.8996   -1.9852 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4444    0.4324    0.1883 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7785   -2.7338    4.1555 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8307   -4.4095    3.5653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9526   -3.9559    0.7371 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4948   -3.4893   -0.1709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1351   -1.7957    1.6460 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0960   -1.3034    0.4478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1369    0.4057    3.1960 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1894    2.3567    3.9169 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8201    0.3357    2.7981 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  4  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  2  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 24  2  0  0  0  0
 19 20  2  0  0  0  0
 19 36  1  0  0  0  0
 20 21  1  0  0  0  0
 20 37  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
M  END
$$$$

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2025-06-21, 1214👍, 0💬