Molecule FYI-1001368

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A

Molecule Summary:

ID: FYI-1001368
SMILES: CCOC(=O)c1c(C)n(-c2ccc(F)cc2)nn1

Received at FYIcenter.com on: 2022-06-11

Molecule ID: FYI-1001368 Edit

Molecule Structure SMILES String: CCOC(=O)c1c(C)n(-c2ccc(F)cc2)nn1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001368
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
   12.6348    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4224    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2100    1.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9975    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9975    3.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7851    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5062    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2150    3.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5693    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    1.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6076    2.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    2.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3924    1.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7977    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3541    0.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2693    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6388    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 16 10  1  0  0  0  0
 17  9  1  0  0  0  0
 18 17  2  0  0  0  0
 18  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001368-3D
FYIcenter.com

 30 31  0  0  0  0  0  0  0  0999 V2000
    6.6487    0.5396   -0.0566 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3967    1.1437    0.5468 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1456    0.4920    1.7967 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4769   -0.6939    1.7054 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8752   -1.0671    0.7036 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6389   -1.5103    2.8976 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1443   -2.7860    3.1291 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1924   -3.6057    2.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6528   -3.1235    4.3762 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5272   -4.3285    5.1127 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3829   -5.5666    4.4628 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1533   -6.7264    5.2065 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0714   -6.6420    6.5916 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8002   -7.7444    7.3024 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2742   -5.4345    7.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5216   -4.2751    6.5149 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2937   -2.0552    4.9080 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3456   -1.0976    3.9969 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9236    1.0420   -0.9877 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5150   -0.5275   -0.2579 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4860    0.6201    0.6496 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5410    1.0674   -0.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5520    2.2076    0.7535 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7436   -3.0408    1.5205 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641   -3.9460    2.9723 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6833   -4.4714    1.8885 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4933   -5.6703    3.3913 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0282   -7.6876    4.7156 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2197   -5.3979    8.3380 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6626   -3.3333    7.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  2  0  0  0  0
 11 12  2  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-26, 478👍, 0💬