Molecule FYI-1001132

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Molecule Summary:

ID: FYI-1001132
SMILES: C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1

Received at FYIcenter.com on: 2022-01-26

Molecule ID: FYI-1001132 Edit

Molecule Structure SMILES String: C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001132
FYIcenter.com

 14 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    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  2  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  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  2  0  0  0  0
 12  3  1  0  0  0  0
 13  4  1  0  0  0  0
 14 13  2  0  0  0  0
 14  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001132-3D
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.4873    0.3157   -0.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7944   -0.8861   -0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -0.8891    0.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7019    0.3478    0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7060    0.3472    0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3946   -0.8907   -0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7969   -0.8896   -0.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4920    0.3110   -0.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7575    1.4756    0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4091    1.5093    0.0128 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6943   -2.1013    0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6935   -2.1005    0.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4032    1.5111   -0.0104 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7513    1.4794   -0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5707    0.3425   -0.0402 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3538   -1.8181   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3547   -1.8225   -0.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5753    0.3365   -0.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2410    2.4482    0.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2237   -3.0516   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2240   -3.0503    0.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2331    2.4525   -0.0461 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  2  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  2  0  0  0  0
  9 19  1  0  0  0  0
 11 12  2  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  2  0  0  0  0
 14 22  1  0  0  0  0
M  END
$$$$

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2022-02-19, 2626👍, 0💬