Molecule FYI-1005158

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A

Molecule Summary:

ID: FYI-1005158
Names:
InChIKey: GZESUTYJPZOKTL-UHFFFAOYSA-N
SMILES: O=C3c2cc(F)c(N1CCNCC1)cc2NCC3CO

Received at FYIcenter.com on: 2023-10-16

Molecule ID: FYI-1005158 Edit

Molecule Structure InChIKey: GZESUTYJPZOKTL-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C3c2cc(F)c(N1CCNCC1)cc2NCC3CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1005158
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8000    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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2961    4.8615    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  4  7  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
  2 14  1  0  0  0  0
  1 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005158-3D
FYIcenter.com

 38 40  0  0  1  0  0  0  0  0999 V2000
    1.1082   -0.0656    0.3058 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3270    0.0072    0.1647 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1240   -1.2043   -0.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5411   -2.4676   -0.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3296   -3.5948   -0.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7377   -4.7938   -0.1632 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7055   -3.5066   -0.5780 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5099   -4.6089   -0.8067 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9189   -4.6714   -0.3903 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7966   -5.1541   -1.5657 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3432   -6.4355   -2.1500 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9237   -6.2998   -2.5496 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9847   -5.8442   -1.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2453   -2.2088   -0.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4729   -1.0525   -0.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1059    0.2022   -0.5126 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2039    1.3359   -0.6877 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1039    1.2945    0.3635 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2011    2.5166    0.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2320    2.5394    1.2848 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4919   -2.5910    0.1890 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0053   -5.3792    0.4442 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3070   -3.7180   -0.0182 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8293   -5.2743   -1.2211 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8125   -4.3895   -2.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937   -7.1484   -1.4216 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5761   -7.2610   -2.9424 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8606   -5.5804   -3.3765 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9226   -6.6237   -0.6353 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9869   -5.7122   -1.8353 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946   -2.0795   -0.9090 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9090    0.2164   -1.1406 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7881    1.3195   -1.7044 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7882    2.2576   -0.5926 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5248    1.2523    1.3768 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6766    2.5498   -0.7184 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7933    3.4330    0.3365 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6971    1.7232    1.1797 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 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3 15  2  0  0  0  0
  4  5  2  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  2  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
M  END
$$$$

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2023-11-02, 2037👍, 0💬