Molecule FYI-1013489

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A

Molecule Summary:

ID: FYI-1013489
Names:
InChIKey: QRGQKIGJCVOHEW-UHFFFAOYSA-N
SMILES: CN(C)Cn3c(c1ccccc1)nc2ccccc23

Received at FYIcenter.com on: 2024-12-16

Molecule ID: FYI-1013489 Edit

Molecule Structure InChIKey: QRGQKIGJCVOHEW-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)Cn3c(c1ccccc1)nc2ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1013489
FYIcenter.com

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.4427    7.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2302    6.7353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0178    7.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2302    5.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0178    4.6353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7389    5.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3063    6.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    6.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4327    4.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021    4.1643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5021    2.9518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8715    3.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9118    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6208    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6612    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9927    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2837    1.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2433    2.7388    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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  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
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  5  1  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
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013489-3D
FYIcenter.com

 36 38  0  0  0  0  0  0  0  0999 V2000
    2.8787   -0.0317   -1.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3924    0.6705    0.0889 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9340    0.7555    0.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8441    0.0413    1.3351 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2955    0.1430    1.4680 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0879    1.2862    1.4418 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6290    2.6757    1.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4242    3.1678    1.7647 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9595    4.4435    1.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7285    5.2765    0.6266 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9724    4.8430    0.1751 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4179    3.5529    0.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3675    0.9382    1.5003 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4046   -0.4276    1.5971 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5093   -1.2920    1.6705 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2862   -2.6713    1.7697 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9891   -3.1812    1.7975 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8779   -2.3356    1.7158 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1216   -0.9581    1.6085 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5121    0.4560   -2.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5648   -1.0796   -1.1167 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9733    0.0048   -1.1629 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5839    1.2450   -0.8455 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5761    1.3687    0.9050 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4615   -0.2308    0.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5481   -1.0111    1.3693 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4219    0.5148    2.2273 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8107    2.5649    2.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9918    4.7763    1.7965 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3613    6.2628    0.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5906    5.5002   -0.4299 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3856    3.2222    0.1072 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5152   -0.8892    1.6422 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1339   -3.3497    1.8241 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8366   -4.2558    1.8784 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8764   -2.7499    1.7283 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  2  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  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
 17 18  2  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
M  END
$$$$

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2025-01-07, 1190👍, 0💬