Molecule FYI-1001327

Home > Molecule

A

Molecule Summary:

ID: FYI-1001327
SMILES: O=C(NC1CCN(C(CC)=O)CC1)NC2(C3)CC4(C)CC3C5=CC=CC=C5C(C4)C2

Received at FYIcenter.com on: 2022-05-18

Molecule ID: FYI-1001327 Edit

Molecule Structure SMILES String: O=C(NC1CCN(C(CC)=O)CC1)NC2(C3)CC4(C)CC3C5=CC=CC=C5C(C4)C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1001327
FYIcenter.com

 30 34  0  0  0  0  0  0  0  0999 V2000
    7.3834    2.5274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3834    3.7910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4778    4.4229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5721    3.7910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5721    2.5274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6664    1.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7609    2.5274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8553    1.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8553    0.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9496    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9496    2.5274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7609    3.7910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6664    4.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2889    4.4229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1946    3.7910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5628    4.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5628    2.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2991    2.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3231    2.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3973    3.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2991    4.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8256    2.3734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6029    2.3154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6603    0.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9236    0.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5265    1.2711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4053    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1379    0.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0371    2.3319    0.0000 C   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  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
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  2  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 13  4  1  0  0  0  0
 14  2  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 22  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 29 18  1  0  0  0  0
 30 28  1  0  0  0  0
 30 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001327-3D
FYIcenter.com

 65 69  0  0  1  0  0  0  0  0999 V2000
    2.4115   -1.1902   -1.6609 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8999   -0.2418   -1.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2732    0.9985   -0.8644 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9373    1.4011   -1.3022 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8307    2.9400   -1.4405 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8589    3.6404   -0.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2511    3.1508    0.7474 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2846    3.8786    1.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3030    5.4030    1.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4551    6.1356    1.8836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1531    3.3347    2.0170 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2046    1.6914    0.9633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1641    0.9095   -0.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2422   -0.0534   -0.6956 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3757   -1.0133   -1.0983 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3384   -0.8531   -2.6089 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2309   -0.6589   -0.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9299    0.4767    0.2197 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.2312    1.0235    0.8635 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8398    0.9376   -1.4783 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7522   -0.4623   -2.7148 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3913   -2.0334   -2.4864 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0919   -2.5304   -3.5810 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6186   -3.8225   -3.5178 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4592   -4.6357   -2.3809 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7595   -4.2038   -1.2499 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2037   -2.9268   -1.2472 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2780   -2.5365    0.1759 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3536   -0.9152    1.1223 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9927   -2.3712   -0.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6512    1.4409   -0.0375 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7835    0.9486   -2.2893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1239    3.1857   -1.9309 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6285    3.3287   -2.0891 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8376    4.7303   -0.1868 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7847    3.3931    0.4449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3799    5.6294    0.1082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3673    5.8145    1.5698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4395    5.8346    1.5009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3662    7.2189    1.7237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4573    5.9694    2.9694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0571    1.3510    1.5595 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6995    1.4875    1.5483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1329    1.0239   -0.8563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0342   -0.1571   -0.1417 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4341    0.8764   -0.9892 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7333   -0.0169   -2.9696 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0256   -1.7475   -3.1601 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1170   -0.4920   -1.2108 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8980   -1.3650    0.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0460    0.2847    0.8792 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0604    1.3247    1.9003 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6188    1.8966    0.3291 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7558    1.4955   -1.7358 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0117    1.6337   -1.6399 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0366   -0.0590   -3.6893 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2162   -1.9407   -4.4841 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1599   -4.2141   -4.3762 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8846   -5.6377   -2.3880 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6385   -4.8706   -0.4017 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3391   -3.3557    0.9011 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0401   -1.0871    1.9680 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3647   -0.6990    1.5493 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1857   -2.3614    0.2158 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7696   -3.1420   -1.2668 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  9 10  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
 12 13  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 14 15  1  0  0  0  0
 14 46  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 30  1  0  0  0  0
 16 21  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 17 18  1  0  0  0  0
 17 49  1  0  0  0  0
 17 50  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 29  1  0  0  0  0
 19 51  1  0  0  0  0
 19 52  1  0  0  0  0
 19 53  1  0  0  0  0
 20 21  1  0  0  0  0
 20 54  1  0  0  0  0
 20 55  1  0  0  0  0
 21 22  1  0  0  0  0
 21 56  1  0  0  0  0
 22 23  2  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 23 57  1  0  0  0  0
 24 25  2  0  0  0  0
 24 58  1  0  0  0  0
 25 26  1  0  0  0  0
 25 59  1  0  0  0  0
 26 27  2  0  0  0  0
 26 60  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 61  1  0  0  0  0
 29 62  1  0  0  0  0
 29 63  1  0  0  0  0
 30 64  1  0  0  0  0
 30 65  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-01, 1302👍, 0💬