Molecule FYI-1001638

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Molecule Summary:

ID: FYI-1001638
SMILES: C1=CC=C2C(=C1)C(=CC=N2)C(=O)N

Received at FYIcenter.com on: 2022-10-13

Molecule ID: FYI-1001638 Edit

Molecule Structure SMILES String: C1=CC=C2C(=C1)C(=CC=N2)C(=O)N

Download SDF Download SVG Structure in 2D SDF:

FYI-1001638
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.7000    0.0000 C   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
    3.6373    0.7000    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
    2.4249    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    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    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
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   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
  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
  6  1  1  0  0  0  0
  7  5  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  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001638-3D
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.5543   -0.5461    0.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4260    0.8295   -0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1560    1.3950   -0.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0028    0.6232   -0.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1073   -0.7855    0.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4094   -1.3461    0.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250   -1.4977    0.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3396   -0.8060    0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3084    0.5658   -0.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1670    1.2763   -0.1110 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2629   -2.9770    0.1347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1934   -3.4879    0.7486 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875   -3.7608   -0.5584 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5413   -0.9971    0.1715 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3055    1.4684   -0.0152 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0568    2.4780   -0.1305 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5528   -2.4154    0.2591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2904   -1.3294    0.0396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2244    1.1495   -0.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2278   -3.3948   -1.2713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5941   -4.7529   -0.5749 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  2  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  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 13  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  END
$$$$

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2022-10-21, 482👍, 0💬