Molecule Editor

Molecule ID: FYI-1001052 Edit

Molecule Structure SMILES String: O=C1C(C2=C(CN3CCOCC3)C=CC=C2)=CC=C4N1C[C@H]5C[C@@H]4CN(CCC6=CC=CC=C6)C5

Download SDF Download SVG Structure in 2D SDF:

FYI-1001052
FYIcenter.com

 70 75  0  0  1  0  0  0  0  0999 V2000
    5.5502    0.3257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4590   -0.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5599   -1.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7486   -1.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8366   -1.3027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7359   -0.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8239    0.1025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7232    1.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8113    1.5076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1007   -0.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0127   -0.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0253   -1.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1260   -2.8823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0380   -3.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8493   -2.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5114   -1.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3494   -0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2245    0.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3110    0.5076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4155    1.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0185    2.3099    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2385    3.1310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2819    3.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7597    1.3440    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5397    0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4644    0.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2415    0.9287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2075    0.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9146    1.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8805    1.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1393    0.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1052   -0.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8124    0.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5535    1.5665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5876    1.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8832    1.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -0.3534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8882    0.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3416    1.0517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8756    1.6984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1600    2.0203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3669    1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4824   -0.0263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9484   -0.6730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6640   -0.9949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4570   -0.9146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4599   -1.6330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6230   -3.2448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1004   -3.9094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4147   -2.9623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5786   -2.1683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9187   -1.1789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3133    2.1136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7958    1.4832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5997    3.8249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6688    3.3845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0827   -0.1892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9066   -0.1352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9454    0.1080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7153    0.3143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1766    1.9389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4067    1.7326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7009   -0.2862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2657   -0.7055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4112    0.4401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9919    2.0049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4271    2.4241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4947    1.9646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9048    2.4819    0.0000 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
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
  4 16  1  0  0  0  0
  3 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  6  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  1  0  0  0
 19 25  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 31 36  1  0  0  0  0
 28 37  1  0  0  0  0
 22 37  1  0  0  0  0
  6 38  1  0  0  0  0
  6 39  1  0  0  0  0
  8 40  1  0  0  0  0
  8 41  1  0  0  0  0
  9 42  1  0  0  0  0
  9 43  1  0  0  0  0
 11 44  1  0  0  0  0
 11 45  1  0  0  0  0
 12 46  1  0  0  0  0
 12 47  1  0  0  0  0
 13 48  1  0  0  0  0
 14 49  1  0  0  0  0
 15 50  1  0  0  0  0
 16 51  1  0  0  0  0
 17 52  1  0  0  0  0
 18 53  1  0  0  0  0
 21 54  1  0  0  0  0
 21 55  1  0  0  0  0
 24 56  1  0  0  0  0
 24 57  1  0  0  0  0
 27 58  1  0  0  0  0
 27 59  1  0  0  0  0
 29 60  1  0  0  0  0
 29 61  1  0  0  0  0
 30 62  1  0  0  0  0
 30 63  1  0  0  0  0
 32 64  1  0  0  0  0
 33 65  1  0  0  0  0
 34 66  1  0  0  0  0
 35 67  1  0  0  0  0
 36 68  1  0  0  0  0
 37 69  1  0  0  0  0
 37 70  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001052-3D
FYIcenter.com

 70 75  0  0  1  0  0  0  0  0999 V2000
    0.5994   -0.3987   -0.1932 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8249   -0.2733   -0.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4833    1.0834    0.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6691    2.3213    0.3706 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0557    3.3926    1.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4301    3.5832    1.8555 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2113    4.7250    1.3621 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4594    4.8489   -0.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7710    4.2470   -0.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9020    4.6762    0.1404 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7514    4.3788    1.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4490    4.9348    2.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0772    4.3485    1.6205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2542    4.2500    1.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6184    3.2636    0.3372 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3419    2.3588   -0.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    1.0687    0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6223   -0.1145   -0.1721 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0461   -1.3070   -0.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6595   -1.3834   -0.3579 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9731   -2.6305   -0.6597 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8389   -3.8831   -0.6111 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0994   -3.6055   -1.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8779   -2.5565   -0.6218 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3844   -3.2411    0.6616 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3556   -3.8516    1.5151 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9128   -4.9539    2.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0784   -4.5731    3.2561 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5480   -5.7885    4.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5707   -6.6033    3.5064 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9427   -7.7692    4.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2956   -8.1285    5.3549 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2813   -7.3317    5.8691 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9070   -6.1595    5.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1367   -4.3317    0.8340 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0148    2.6671    1.9010 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2177    3.7797    2.9176 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5227    5.9281   -0.2795 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6145    4.4980   -0.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9256    4.5903   -1.6450 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7639    3.1573   -0.6603 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5993    4.8549    2.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8437    3.2983    1.6881 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5696    6.0182    2.2465 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3481    4.5430    3.1545 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3592    5.1604    2.2909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9988    4.9355    1.6265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6522    3.1649    0.0145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0067    1.6288   -0.8528 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4021    1.9654    0.1072 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7025   -0.0085   -0.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5679   -2.5158   -1.6755 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1053   -2.7426    0.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2760   -4.6884   -1.1002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8657   -3.2486   -2.4142 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6896   -4.5243   -1.5261 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7571   -2.2756   -1.2173 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9544   -2.5172    1.2586 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1020   -4.0141    0.3479 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2373   -5.7689    1.6671 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1092   -5.3707    2.9546 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7703   -3.7895    3.9594 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9240   -4.1716    2.6861 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0703   -6.3427    2.5749 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7240   -8.4057    3.7674 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5756   -9.0472    5.8701 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7706   -7.6116    6.7801 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0989   -5.5527    5.6046 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2941   -4.0492    1.4805 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1211   -5.4304    0.8186 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 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  2  0  0  0  0
  4  5  2  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 36  1  0  0  0  0
  6 37  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 38  1  0  0  0  0
  8 39  1  0  0  0  0
  9 10  1  0  0  0  0
  9 40  1  0  0  0  0
  9 41  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 42  1  0  0  0  0
 11 43  1  0  0  0  0
 12 44  1  0  0  0  0
 12 45  1  0  0  0  0
 13 14  2  0  0  0  0
 13 46  1  0  0  0  0
 14 15  1  0  0  0  0
 14 47  1  0  0  0  0
 15 16  2  0  0  0  0
 15 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 18  1  0  0  0  0
 17 50  1  0  0  0  0
 18 19  2  0  0  0  0
 18 51  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 52  1  0  0  0  0
 21 53  1  0  0  0  0
 22 23  1  0  0  0  0
 22 35  1  0  0  0  0
 22 54  1  6  0  0  0
 23 24  1  0  0  0  0
 23 55  1  0  0  0  0
 23 56  1  0  0  0  0
 24 25  1  0  0  0  0
 24 57  1  6  0  0  0
 25 26  1  0  0  0  0
 25 58  1  0  0  0  0
 25 59  1  0  0  0  0
 26 27  1  0  0  0  0
 26 35  1  0  0  0  0
 27 28  1  0  0  0  0
 27 60  1  0  0  0  0
 27 61  1  0  0  0  0
 28 29  1  0  0  0  0
 28 62  1  0  0  0  0
 28 63  1  0  0  0  0
 29 30  2  0  0  0  0
 29 34  1  0  0  0  0
 30 31  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 33  1  0  0  0  0
 32 66  1  0  0  0  0
 33 34  2  0  0  0  0
 33 67  1  0  0  0  0
 34 68  1  0  0  0  0
 35 69  1  0  0  0  0
 35 70  1  0  0  0  0
M  END
$$$$