Molecule FYI-1004470

A

Molecule Summary:

ID: FYI-1004470
Names:
InChIKey: SAEPQBXAFMUJHD-UHFFFAOYSA-M
SMILES: O=C(Nc1ccccc1)c3cccc([N-]C(=O)c2ccccc2)c3

Received at FYIcenter.com on: 2023-09-07

Molecule ID: FYI-1004470 Edit

Molecule Structure InChIKey: SAEPQBXAFMUJHD-UHFFFAOYSA-M

Molecule Structure SMILES String: O=C(Nc1ccccc1)c3cccc([N-]C(=O)c2ccccc2)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004470
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.7708   12.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5584   13.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3459   12.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3459   11.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5584   10.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5584    9.3764    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3459    8.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1335    9.3764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5584    6.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3459    4.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1335    5.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1335    6.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021    4.7438    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.1212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6756    2.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6124    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1797    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8104    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8736    1.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7708   11.4764    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  1  0  0  0  0
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  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
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 14  9  1  0  0  0  0
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 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
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 20 19  1  0  0  0  0
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 22 21  1  0  0  0  0
 23 18  1  0  0  0  0
 23 22  2  0  0  0  0
 24  5  2  0  0  0  0
 24  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004470-3D
FYIcenter.com

 39 41  0  0  0  0  0  0  0  0999 V2000
    1.0560   -0.0696   -0.2385 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2715   -0.1051   -0.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9600    0.5103    0.9724 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3799    1.2449    2.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0158    1.2036    2.3367 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4895    1.9682    3.3815 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3245    2.7862    4.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6883    2.8280    3.8500 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2156    2.0530    2.8099 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1053   -0.7957   -1.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6684   -0.7538   -2.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3837   -1.4283   -3.3895 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5370   -2.1378   -3.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0200   -2.1746   -1.7265 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1366   -2.8864   -1.4434 N   0  5  0  0  0  0  0  0  0  0  0  0
    7.1475   -2.2291   -0.8523 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2234   -1.0389   -0.5316 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3622   -3.0665   -0.5972 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2781   -4.4147   -0.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4422   -5.1513    0.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6938   -4.5483   -0.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7844   -3.2042   -0.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6221   -2.4649   -0.7144 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2666   -1.5064   -0.7432 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9724    0.5276    0.8888 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3333    0.5669    1.7827 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9128    3.3860    4.9413 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3436    3.4686    4.4335 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2808    2.1085    2.6006 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7728   -0.1997   -2.6694 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0483   -1.4043   -4.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0826   -2.6670   -3.8247 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3031   -4.8816   -0.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3671   -6.1943    0.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5963   -5.1230    0.0597 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7543   -2.7287   -0.5935 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6838   -1.4178   -0.9989 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5999   -1.5702    0.2898 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 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  2  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  2  0  0  0  0
 11 12  2  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  2  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 14 24  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  2  0  0  0  0
 19 20  2  0  0  0  0
 19 34  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 22  2  0  0  0  0
 21 36  1  0  0  0  0
 22 23  1  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
M  END
$$$$

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2023-09-10, 2137👍, 0💬