Molecule FYI-1005634

A

Molecule Summary:

ID: FYI-1005634
Names:
InChIKey: LSMFLJBWMCQSKM-UHFFFAOYSA-N
SMILES: O=C(c1cccc(Cl)c1)C6C3c2ccccc2C=CN3C(C(=O)c4ccccc4Cl)C7c5ccccc5C=CN67

Received at FYIcenter.com on: 2023-11-08

Molecule ID: FYI-1005634 Edit

Molecule Structure InChIKey: LSMFLJBWMCQSKM-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(c1cccc(Cl)c1)C6C3c2ccccc2C=CN3C(C(=O)c4ccccc4Cl)C7c5ccccc5C=CN67

Download SDF Download SVG Structure in 2D SDF:

FYI-1005634
FYIcenter.com

 40 46  0  0  0  0  0  0  0  0999 V2000
   10.9120    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 C   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
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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  2  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  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
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 11  1  0  0  0  0
 20 15  1  0  0  0  0
 21 12  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 23 10  1  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
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 31 22  1  0  0  0  0
 31 26  1  0  0  0  0
 32 21  1  0  0  0  0
 33 32  2  0  0  0  0
 34 32  1  0  0  0  0
 35 34  2  0  0  0  0
 36 35  1  0  0  0  0
 37 36  2  0  0  0  0
 38 37  1  0  0  0  0
 39 38  2  0  0  0  0
 39 34  1  0  0  0  0
 40 39  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005634-3D
FYIcenter.com

 64 70  0  0  1  0  0  0  0  0999 V2000
    2.6123   -0.5707   -1.6871 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2173   -0.6645   -0.5261 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7936   -0.3000   -0.2237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1426   -0.4005   -1.2609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5036   -0.2175   -1.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9385    0.0752    0.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0058    0.2322    1.3067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5357    0.5942    2.9045 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3569    0.0723    1.0553 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0713   -1.1984    0.6197 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8926   -2.7458    0.8575 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5217   -3.3668    1.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9605   -4.2062    0.0829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2202   -4.9001    0.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8743   -4.7252    1.5677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3192   -3.9030    2.5520 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9054   -3.2705    2.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6599   -2.6491    3.4205 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9957   -2.5825    3.2920 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6582   -2.9859    2.1299 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1471   -2.8758    1.9054 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6761   -4.3213    1.7942 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6381   -4.9540    0.7432 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1551   -5.0124    3.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4888   -4.7786    4.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8515   -5.4382    5.4306 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8766   -6.3717    5.4062 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5488   -6.6211    4.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2029   -5.9393    3.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1718   -6.2664    1.6394 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4716   -2.0576    0.5763 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9358   -1.6594    0.4246 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8993   -2.6255    0.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2350   -2.2721   -0.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6250   -0.9441    0.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6782    0.0315    0.3541 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3338   -0.3166    0.5431 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3357    0.7199    0.8095 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0362    0.4071    0.7468 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5491   -0.8603    0.4742 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1831   -0.6495   -2.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2254   -0.3253   -1.8111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0007    0.1800    0.4904 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0439    0.2336    1.8788 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7788   -0.6658    1.5269 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3517   -3.3044    0.0331 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4814   -4.3920   -0.8552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6109   -5.6058   -0.3815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7895   -5.2753    1.7726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8079   -3.8327    3.5197 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1427   -2.3442    4.3214 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6246   -2.1843    4.0833 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6213   -2.3687    2.7555 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6468   -4.1088    4.3174 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3134   -5.2328    6.3529 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1473   -6.9061    6.3141 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3513   -7.3564    4.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2604   -2.6663   -0.3128 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6147   -3.6617   -0.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9622   -3.0326   -0.3739 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6617   -0.6643   -0.1305 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9944    1.0695    0.4196 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6632    1.7327    1.0091 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2794    1.1717    0.9037 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 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  2  0  0  0  0
  4 41  1  0  0  0  0
  5  6  1  0  0  0  0
  5 42  1  0  0  0  0
  6  7  2  0  0  0  0
  6 43  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 44  1  0  0  0  0
 10 11  1  0  0  0  0
 10 40  1  0  0  0  0
 10 45  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 11 46  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 47  1  0  0  0  0
 14 15  1  0  0  0  0
 14 48  1  0  0  0  0
 15 16  2  0  0  0  0
 15 49  1  0  0  0  0
 16 17  1  0  0  0  0
 16 50  1  0  0  0  0
 17 18  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 52  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 31  1  0  0  0  0
 21 53  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 29  2  0  0  0  0
 25 26  2  0  0  0  0
 25 54  1  0  0  0  0
 26 27  1  0  0  0  0
 26 55  1  0  0  0  0
 27 28  2  0  0  0  0
 27 56  1  0  0  0  0
 28 29  1  0  0  0  0
 28 57  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
 31 40  1  0  0  0  0
 31 58  1  0  0  0  0
 32 33  1  0  0  0  0
 32 37  2  0  0  0  0
 33 34  2  0  0  0  0
 33 59  1  0  0  0  0
 34 35  1  0  0  0  0
 34 60  1  0  0  0  0
 35 36  2  0  0  0  0
 35 61  1  0  0  0  0
 36 37  1  0  0  0  0
 36 62  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 63  1  0  0  0  0
 39 40  1  0  0  0  0
 39 64  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-13, 963👍, 0💬