Molecule FYI-1010689

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A

Molecule Summary:

ID: FYI-1010689
Names:
InChIKey: ISHMOMLMEMBTER-UHFFFAOYSA-N
SMILES: CC1=CC(=O)OC2C=C(N)C=CC12

Received at FYIcenter.com on: 2024-07-02

Molecule ID: FYI-1010689 Edit

Molecule Structure InChIKey: ISHMOMLMEMBTER-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1=CC(=O)OC2C=C(N)C=CC12

Download SDF Download SVG Structure in 2D SDF:

FYI-1010689
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    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  2  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 10  4  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  2  1  0  0  0  0
 13 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010689-3D
FYIcenter.com

 24 25  0     1  0  0  0  0  0999 V2000
    0.5014    1.4612    0.1657 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4619    2.2172   -0.6672 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8259    0.5121   -0.1603 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1101   -0.9799    0.4660 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2036    0.4564    0.9322 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5779   -1.1206    0.1612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -1.4128   -0.6829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6648    0.8085    0.8186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5046    0.1868   -0.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3451   -0.0591   -0.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9755   -0.8605   -0.8919 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1619   -2.5043    0.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7869    1.2951   -0.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1264   -1.6518    1.3044 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1024    0.5767    1.9796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4482   -2.2265   -1.3262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0286    1.6198    1.4445 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4037   -0.1679   -0.3303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5934   -1.2154   -1.7114 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0036   -2.9339    1.2248 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2402   -2.5062    0.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6936   -3.1597   -0.5104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4092    0.0212   -0.8264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2223    1.2472    0.4121 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 13  1  0  0  0  0
  2 13  2  0  0  0  0
  3  9  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 14  1  0  0  0  0
  5  8  1  0  0  0  0
  5 15  1  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  7 11  2  0  0  0  0
  7 16  1  0  0  0  0
  8  9  2  0  0  0  0
  8 17  1  0  0  0  0
  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
$$$$

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2024-07-25, 1529👍, 0💬