Molecule FYI-1015697

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A

Molecule Summary:

ID: FYI-1015697
Names:
InChIKey: QPZJJSNSIGRMRK-UHFFFAOYSA-N
SMILES: Clc3ccc(c2ccc1ncccc1c2)cn3

Received at FYIcenter.com on: 2025-09-29

Molecule ID: FYI-1015697 Edit

Molecule Structure InChIKey: QPZJJSNSIGRMRK-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc3ccc(c2ccc1ncccc1c2)cn3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015697
FYIcenter.com

 17 19  0  0  0  0  0  0  0  0999 V2000
    8.4870    7.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  4  1  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  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 11  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015697-3D
FYIcenter.com

 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.0940   -0.0070   -0.1148 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3824    0.0306   -0.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2802    1.0898    0.5508 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6759    1.0599    0.5704 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3799   -0.0217    0.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8589   -0.0868    0.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6128    0.4622    1.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0137    0.4127    1.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7213   -0.1917    0.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0650   -0.2159    0.0890 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7207   -0.8214   -0.9253 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0923   -1.4176   -2.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7038   -1.3856   -2.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9878   -0.7625   -1.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5779   -0.6996   -1.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5873   -1.0316   -0.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2317   -1.0318   -0.5887 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2644    1.9221    0.9813 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2031    1.9010    1.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1262    0.9339    1.9242 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5660    0.8550    1.8968 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8041   -0.8137   -0.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6678   -1.8938   -2.7873 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1857   -1.8491   -2.8795 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0469   -1.1286   -1.8652 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0323   -1.9215   -0.9798 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  2  0  0  0  0
  3  4  2  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  2  0  0  0  0
  6  7  1  0  0  0  0
  6 15  2  0  0  0  0
  7  8  2  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  2  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-10-24, 986👍, 0💬