Molecule FYI-1001565

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Molecule Summary:

ID: FYI-1001565
SMILES: N1(C(=O)c2cc(nn2C)C)Cc2n(CC1)nc(c2I)C

Received at FYIcenter.com on: 2022-09-10

Molecule ID: FYI-1001565 Edit

Molecule Structure SMILES String: N1(C(=O)c2cc(nn2C)C)Cc2n(CC1)nc(c2I)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001565
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.6407    2.9624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2118    1.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5813    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2813    2.4914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3444    3.5318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6736    2.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1507    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    3.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    1.5701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    0.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6457    4.9013    0.0000 I   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  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  3  2  0  0  0  0
  8  6  1  0  0  0  0
  9  5  1  0  0  0  0
 10  1  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 15 11  1  0  0  0  0
 16 15  1  0  0  0  0
 17 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001565-3D
FYIcenter.com

 36 38  0  0  0  0  0  0  0  0999 V2000
   -2.0523    0.9650    0.3222 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1306    1.6202    0.9381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1598    1.0032    1.2128 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9962    3.0332    1.2464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3141    4.0409    0.5838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3968    5.1804    1.4004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2024    4.9691    2.4425 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6212    3.6928    2.2838 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6128    3.1732    3.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6985    6.4711    1.2061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7364    1.5685    0.1282 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3425    0.5615    0.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0933   -0.7795    0.0716 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2326   -1.3659    0.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2679   -0.3338   -0.3271 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1948   -1.5425    0.0463 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2049   -0.6553    0.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7112    0.6661    0.0511 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7827    2.3839    0.0227 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.6149   -1.1194    0.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7589    3.9635   -0.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8783    3.9499    3.9231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1951    2.3112    3.7230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5017    2.8981    2.6260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0178    6.4142    0.3488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0987    6.7223    2.0866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4132    7.2765    1.0188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5227    2.2673    0.9414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7585    2.0984   -0.8299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4039   -1.6887    1.1398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2422   -2.2346   -0.5572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2771   -0.7150   -0.1449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1878   -0.1533   -1.4077 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6807   -2.2113    0.0691 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1579   -0.7201    0.8919 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1216   -0.7847   -0.8833 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-07, 1518👍, 0💬