Molecule FYI-1015651

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A

Molecule Summary:

ID: FYI-1015651
Names:
InChIKey: AGQJDIDJKSFVTC-UHFFFAOYSA-N
SMILES: C=C1CCc3c(C1=O)c2ccccc2n3C

Received at FYIcenter.com on: 2025-09-22

Molecule ID: FYI-1015651 Edit

Molecule Structure InChIKey: AGQJDIDJKSFVTC-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C1CCc3c(C1=O)c2ccccc2n3C

Download SDF Download SVG Structure in 2D SDF:

FYI-1015651
FYIcenter.com

 16 18  0  0  0  0  0  0  0  0999 V2000
    4.5303    5.4979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1608    5.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2240    6.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8546    5.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4220    4.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3588    3.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7282    3.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4914    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9240    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2934    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2302    1.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7975    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6566    7.5787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  2  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  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
 15 10  1  0  0  0  0
 16  3  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015651-3D
FYIcenter.com

 29 31  0     0  0  0  0  0  0999 V2000
    1.5686   -2.3638    0.0286 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7166    1.6154    0.0633 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5430    1.0912    0.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4531   -0.2845    0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7931    1.8885    0.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9367   -0.6111   -0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6432    0.5968    0.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9190    1.0575   -0.5345 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6264   -1.1412   -0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9208   -0.3768   -0.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0395    3.0260    0.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6700   -1.8158   -0.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0419    0.6559    0.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0688   -1.7705   -0.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7424   -0.5521   -0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0353   -1.0154    0.3309 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6965    2.8309   -0.4543 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0395    2.1277    1.1366 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8801    1.5470   -0.3361 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7920    1.0446   -1.6256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9828    3.1680    0.6512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2567    3.5605    0.6626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1166    3.3961   -0.9059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1637   -2.7764   -0.0795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5783    1.5984    0.0368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6344   -2.6979   -0.0939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8293   -0.5395   -0.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9977   -0.5139    0.3104 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0275   -2.0437    0.6765 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  5  8  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
 10 16  2  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 14  1  0  0  0  0
 12 24  1  0  0  0  0
 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  2  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-09-24, 707👍, 0💬