Molecule FYI-1001688

Home > Molecule

A

Molecule Summary:

ID: FYI-1001688
SMILES: C1COCCC1NC(=O)C2=CC=C(C=C2)C3=NC=CC(=C3)C4=C(NN=C4)C5=CC=CC=N5

Received at FYIcenter.com on: 2022-11-07

Molecule ID: FYI-1001688 Edit

Molecule Structure SMILES String: C1COCCC1NC(=O)C2=CC=C(C=C2)C3=NC=CC(=C3)C4=C(NN=C4)C5=CC=CC=N5

Download SDF Download SVG Structure in 2D SDF:

FYI-1001688
FYIcenter.com

 32 36  0  0  0  0  0  0  0  0999 V2000
   14.8266    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0390    8.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0390    9.8544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8266   10.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6142    9.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6142    8.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4018    7.7544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1893    8.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1893    9.8544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9769    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7645    8.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5519    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5519    6.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7645    5.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9769    6.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3395    5.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1271    6.3543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9147    5.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9147    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1271    3.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3395    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1271    2.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9945    1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4271    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8271    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2597    1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6630    1.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    3.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0405    3.5661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    1.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6226    0.8273    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  1  0  0  0  0
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  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 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 26 22  1  0  0  0  0
 27 23  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
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 32 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001688-3D
FYIcenter.com

 55 59  0  0  0  0  0  0  0  0999 V2000
    0.6432   -0.2924   -0.4681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7436   -0.1175    0.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9332    1.2267    0.5770 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0135    1.5901    1.6059 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4155    1.5197    1.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7081    0.1226    0.5491 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0453    0.0682   -0.0208 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7403   -1.1200   -0.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2827   -2.1863    0.3083 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1020   -1.0627   -0.6875 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8756    0.1034   -0.6922 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1781    0.0788   -1.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7440   -1.1016   -1.7255 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9422   -2.2590   -1.7121 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6416   -2.2424   -1.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1309   -1.1244   -2.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9877   -0.2165   -1.7107 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2626   -0.2233   -2.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7392   -1.0814   -3.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8538   -1.9963   -3.7003 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5443   -2.0262   -3.2165 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2845   -2.9242   -4.7379 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5270   -3.3906   -5.8116 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3565   -4.2657   -6.4685 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5752   -4.3984   -5.9254 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5364   -3.5697   -4.8824 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1864   -3.0910   -6.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3608   -4.0537   -6.8818 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0905   -3.6735   -7.3126 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6791   -2.3559   -7.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5622   -1.4659   -6.5671 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8036   -1.8042   -6.1580 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7333    0.3371   -1.3627 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7877   -1.3304   -0.7881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9068   -0.8055    0.9712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5074   -0.3297   -0.6216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1592    0.9385    2.4756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2465    2.6134    1.9166 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1215    1.7785    1.8891 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5492    2.2563    0.2889 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6783   -0.5871    1.3869 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    0.8457   -0.5887 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5081    1.0297   -0.2616 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7689    0.9948   -1.1943 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3282   -3.2095   -2.0729 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0605   -3.1625   -1.1886 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9174    0.5082   -1.6944 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7744   -1.0161   -3.4524 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8357   -2.7340   -3.6268 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1539   -4.7937   -7.3095 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4159   -3.4795   -4.2578 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6719   -5.0880   -6.9774 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4219   -4.4022   -7.7631 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6940   -2.0306   -7.4662 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2892   -0.4272   -6.4026 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  2 35  1  0  0  0  0
  2 36  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 37  1  0  0  0  0
  4 38  1  0  0  0  0
  5  6  1  0  0  0  0
  5 39  1  0  0  0  0
  5 40  1  0  0  0  0
  6  7  1  0  0  0  0
  6 41  1  0  0  0  0
  7  8  1  0  0  0  0
  7 42  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 43  1  0  0  0  0
 12 13  2  0  0  0  0
 12 44  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 14 45  1  0  0  0  0
 15 46  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 47  1  0  0  0  0
 19 20  1  0  0  0  0
 19 48  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 49  1  0  0  0  0
 22 23  2  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 23 27  1  0  0  0  0
 24 25  1  0  0  0  0
 24 50  1  0  0  0  0
 25 26  2  0  0  0  0
 26 51  1  0  0  0  0
 27 28  2  0  0  0  0
 27 32  1  0  0  0  0
 28 29  1  0  0  0  0
 28 52  1  0  0  0  0
 29 30  2  0  0  0  0
 29 53  1  0  0  0  0
 30 31  1  0  0  0  0
 30 54  1  0  0  0  0
 31 32  2  0  0  0  0
 31 55  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-11-21, 959👍, 0💬