Molecule FYI-1014853

A

Molecule Summary:

ID: FYI-1014853
Names:
InChIKey: OEYYOVRNPJSWTO-IBGZPJMESA-N
SMILES: CC(C)N1CCC[C@H]1CNC(=O)c3cn(C2CCCC2)c(=O)c5c3c4ccccc4n5C

Received at FYIcenter.com on: 2025-05-30

Molecule ID: FYI-1014853 Edit

Molecule Structure InChIKey: OEYYOVRNPJSWTO-IBGZPJMESA-N

Molecule Structure SMILES String: CC(C)N1CCC[C@H]1CNC(=O)c3cn(C2CCCC2)c(=O)c5c3c4ccccc4n5C

Download SDF Download SVG Structure in 2D SDF:

FYI-1014853
FYIcenter.com

 32 36  0  0  1  0  0  0  0  0999 V2000
    7.4588    3.7579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7904    3.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0814    1.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8307    4.2620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2002    3.9710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9002    5.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9633    6.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6844    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4720    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2596    5.6544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0471    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0471    7.7544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8347    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8347    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6222    3.5543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6222    2.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4896    1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9222    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3222    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7549    1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4097    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1973    3.5543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4097    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6222    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3312    7.7237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1540    8.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5846   10.1354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1923   10.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3693    9.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9387    7.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3693    6.5911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  4  1  0  0  0  0
  8  9  1  6  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20 16  1  0  0  0  0
 21 15  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
 24 13  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 30 25  1  0  0  0  0
 31 30  1  0  0  0  0
 31 23  1  0  0  0  0
 32 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014853-3D
FYIcenter.com

 66 70  0     1  0  0  0  0  0999 V2000
   -4.6940    0.5162   -0.5374 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8863   -0.9348    1.9475 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1044   -0.6967   -0.2451 N   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0537   -1.0652   -0.0466 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3284   -1.0616   -0.3384 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6532    2.6142   -0.2057 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6802   -0.3464   -0.2123 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9681   -2.1624   -0.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5676    0.5238   -1.4622 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4381   -1.0122   -1.6328 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5522   -0.0840   -2.4555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5357   -3.1667   -1.2477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0694   -3.0085    1.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1373   -4.5055   -0.8176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7208   -4.2871    0.5762 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5189   -1.7294    0.6881 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6968   -1.5203   -0.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7233   -1.3303    0.2808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8066   -0.3531    0.4267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5283    0.2520   -0.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1808    1.0126    0.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5019    1.2625   -0.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1218   -1.3467    2.1111 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0257   -1.9388    0.5772 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5410   -0.8083    0.7721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4985    2.2621    0.3182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4535    3.2482    0.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8857    3.2995   -0.5388 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8189    2.6902    0.5940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1554    4.6166    0.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1301    4.0561    0.5726 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1557    5.0041    0.2825 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4571    0.2780    0.6612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9721   -1.8005   -0.4386 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5622    0.6011   -1.8853 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8921    1.5464   -1.2263 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2125   -2.0549   -1.8892 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4920   -0.8202   -1.8592 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0219   -0.6496   -3.2296 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1334    0.7021   -2.9493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4504   -3.2769   -1.3425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8989   -2.8675   -2.2375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6701   -2.5203    1.8529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0993   -3.2512    1.5247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3587   -5.2762   -0.7936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9103   -4.8430   -1.5159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8064   -4.1494    0.5041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5371   -5.1368    1.2405 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0418   -2.6896    0.4523 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8638   -2.1530   -1.1353 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7830   -2.1582    0.6276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4456   -2.3704    0.4154 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9336   -0.9279   -1.2653 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5375   -0.3719    2.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0403   -1.3090    2.2659 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5118   -2.0825    2.8240 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5755   -0.9993    0.7067 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3164   -2.3799   -0.3819 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3733   -2.6293    1.3545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2186    2.9473   -1.5188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6260    3.0652    0.2309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7469    4.3793   -0.5791 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5975    1.9701    0.8270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8998    5.3723   -0.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1466    4.3757    0.7865 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4171    6.0589    0.2711 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  2  0  0  0  0
  2 25  2  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  3 16  1  0  0  0  0
  4  8  1  0  0  0  0
  4 18  1  0  0  0  0
  4 20  1  0  0  0  0
  5 17  1  0  0  0  0
  5 25  1  0  0  0  0
  5 53  1  0  0  0  0
  6 22  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  7 33  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 34  1  0  0  0  0
  9 11  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 14  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 15  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 15  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 15 47  1  0  0  0  0
 15 48  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
 16 49  1  0  0  0  0
 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
 18 19  2  0  0  0  0
 18 52  1  0  0  0  0
 19 21  1  0  0  0  0
 19 25  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 23 54  1  0  0  0  0
 23 55  1  0  0  0  0
 23 56  1  0  0  0  0
 24 57  1  0  0  0  0
 24 58  1  0  0  0  0
 24 59  1  0  0  0  0
 26 27  1  0  0  0  0
 26 29  2  0  0  0  0
 27 30  2  0  0  0  0
 28 60  1  0  0  0  0
 28 61  1  0  0  0  0
 28 62  1  0  0  0  0
 29 31  1  0  0  0  0
 29 63  1  0  0  0  0
 30 32  1  0  0  0  0
 30 64  1  0  0  0  0
 31 32  2  0  0  0  0
 31 65  1  0  0  0  0
 32 66  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-06-21, 925👍, 0💬