Molecule FYI-1003478

A

Molecule Summary:

ID: FYI-1003478
Names:
InChIKey: GWMQVMHBTSXYHO-WTALVRBXSA-N
SMILES: O=C(Cn2ccc1ccccc12)NNC(=O)[C@@H]7[C@@H]4[C@@H]3C[C@H]6[C@H]5[C@@H]3C[C@H]4[C@H]5[C@H]67

Received at FYIcenter.com on: 2023-06-21

Molecule ID: FYI-1003478 Edit

Molecule Structure InChIKey: GWMQVMHBTSXYHO-WTALVRBXSA-N

Molecule Structure SMILES String: O=C(Cn2ccc1ccccc12)NNC(=O)[C@@H]7[C@@H]4[C@@H]3C[C@H]6[C@H]5[C@@H]3C[C@H]4[C@H]5[C@H]67

Download SDF Download SVG Structure in 2D SDF:

FYI-1003478
FYIcenter.com

 27 33  0  0  1  0  0  0  0  0999 V2000
    8.8016    0.6457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8016    1.9060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8930    2.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9845    1.9060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1162    0.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3488    0.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9789    1.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2117    1.7440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6011    2.9426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7578    3.8791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5251    3.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1357    2.4185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7103    2.5361    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6189    1.9060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5275    2.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5275    3.7963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4361    1.9060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2849    2.4185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3483    3.2618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6771    3.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8195    0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6127    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0717    0.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5517    1.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5347    2.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3044    0.6527    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  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  4  1  0  0  0  0
 12  7  1  0  0  0  0
 13  2  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  6  0  0  0
 18 17  1  6  0  0  0
 19 18  1  0  0  0  0
 19 20  1  6  0  0  0
 21 20  1  1  0  0  0
 22 21  1  0  0  0  0
 22 23  1  6  0  0  0
 24 23  1  1  0  0  0
 25 24  1  6  0  0  0
 25 18  1  0  0  0  0
 26 25  1  1  0  0  0
 26 19  1  0  0  0  0
 26 22  1  0  0  0  0
 27 24  1  1  0  0  0
 27 17  1  0  0  0  0
 27 21  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2023-07-08, 1512👍, 0💬