Molecule FYI-1016367

A

Molecule Summary:

ID: FYI-1016367
Names:
InChIKey: MKTCRZMSNIRSBE-UHFFFAOYSA-N
SMILES: CCCCCCCCCC(=O)n6c4c(C(=O)c3cc(CC)c(N2CCC(N1CCOCC1)CC2)cc3C4(C)C)c5ccc(C#N)cc56

Received at FYIcenter.com on: 2025-12-10

Molecule ID: FYI-1016367 Edit

Molecule Structure InChIKey: MKTCRZMSNIRSBE-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCC(=O)n6c4c(C(=O)c3cc(CC)c(N2CCC(N1CCOCC1)CC2)cc3C4(C)C)c5ccc(C#N)cc56

Download SDF Download SVG Structure in 2D SDF:

FYI-1016367
FYIcenter.com

 47 52  0  0  0  0  0  0  0  0999 V2000
   20.5399    5.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3275    6.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1150    5.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9026    6.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6902    5.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4778    6.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2654    5.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0529    6.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8405    5.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6280    6.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6280    7.9450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4156    5.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1366    6.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1998    5.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8305    5.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8937    4.6247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3978    6.9965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0284    7.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5958    8.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2264    8.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2896    7.8698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5326    9.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   10.9910    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0368   12.0314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6041   13.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2347   13.6540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021   14.9855    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7389   16.0259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3063   17.3574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368   17.6484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   16.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4327   15.2765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2979   12.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7305   11.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9020    9.3684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3346    8.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7040    7.7459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0354    8.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9950    9.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8998    4.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4672    2.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    1.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7734    2.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7102    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6470    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2060    3.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2692    4.4526    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  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 10  2  0  0  0  0
 12 10  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 15  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 32 27  1  0  0  0  0
 33 26  1  0  0  0  0
 34 33  1  0  0  0  0
 34 23  1  0  0  0  0
 35 22  1  0  0  0  0
 36 35  2  0  0  0  0
 36 17  1  0  0  0  0
 37 36  1  0  0  0  0
 37 13  1  0  0  0  0
 38 37  1  0  0  0  0
 39 37  1  0  0  0  0
 40 14  1  0  0  0  0
 41 40  2  0  0  0  0
 42 41  1  0  0  0  0
 43 42  2  0  0  0  0
 44 43  1  0  0  0  0
 45 44  3  0  0  0  0
 46 43  1  0  0  0  0
 47 46  2  0  0  0  0
 47 40  1  0  0  0  0
 47 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016367-3D
FYIcenter.com

 99104  0  0  0  0  0  0  0  0999 V2000
   13.1500   -4.5712    3.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3197   -3.3077    3.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8149   -2.4471    1.8577 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9715   -1.1820    1.7223 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4468   -0.3042    0.5657 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5765    0.9476    0.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0186    1.8510   -0.6807 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1344    3.0966   -0.7705 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6129    3.9894   -1.9140 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8076    5.2669   -2.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6279    5.3399   -1.7290 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5087    6.4129   -2.5033 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1941    7.7444   -2.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1742    8.5706   -2.7312 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1725   10.0255   -2.5264 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0483   10.7581   -2.9854 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0390   10.5841   -1.7196 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9464   11.9645   -1.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8531   12.5525   -0.7638 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8690   14.0559   -0.5313 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7058   14.9304   -1.4612 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8208   11.7167   -0.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6715   12.0536    0.4412 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5770   13.2504    1.2667 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6672   12.9713    2.4606 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2401   12.5538    2.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3951   13.5895    1.4040 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5817   14.9806    1.8764 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9656   15.2778    3.2518 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5598   15.0109    3.2456 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3176   13.6442    2.8953 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9404   13.2840    1.5282 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3953   11.3211    1.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3636   11.5572   -0.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9969   10.3423   -0.4783 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0544    9.7530   -1.1981 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0088    8.2249   -1.4022 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7042    8.0057   -2.2105 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0649    7.6261    0.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0891    7.7520   -3.4538 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2434    8.0146   -4.2203 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9387    6.9746   -4.8524 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4806    5.6670   -4.7510 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1800    4.5809   -5.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7213    3.6735   -5.8543 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3230    5.3854   -4.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6473    6.4238   -3.3321 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7805   -5.1721    4.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2001   -4.3288    3.3579 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0975   -5.1811    2.2586 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3654   -2.7351    3.9531 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2704   -3.5820    2.8588 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7693   -3.0227    0.9253 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8649   -2.1752    2.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0169   -0.6095    2.6569 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9215   -1.4570    1.5634 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4008   -0.8688   -0.3737 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4947   -0.0190    0.7210 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6254    1.5045    1.4067 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5305    0.6545    0.3129 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9748    1.2994   -1.6281 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0638    2.1498   -0.5315 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1684    3.6528    0.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0895    2.8044   -0.9306 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5130    3.4348   -2.8522 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6629    4.2272   -1.7157 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7464   12.5936   -1.8637 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2275   14.2298    0.4904 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8496   14.4366   -0.6180 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7782   14.7656   -1.3180 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5110   15.9868   -1.2431 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4568   14.7504   -2.5111 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1926   14.0881    0.6767 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5523   13.5187    1.6782 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6558   13.8321    3.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1072   12.1489    3.0435 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7461   12.2251    2.9735 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0906   15.6318    1.1404 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6317   15.2832    1.8591 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0961   16.3383    3.4912 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4420   14.6965    4.0492 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2317   13.5086    2.8526 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6957   13.0010    3.6976 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239   13.8721    0.7583 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7261   12.2357    1.2977 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4278   10.9840    0.7391 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7755   10.4854    1.7314 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9347   12.2671   -0.7624 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4443   10.6011   -0.5829 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2571    9.6781   -0.0316 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6238    8.7522   -3.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8098    8.1108   -1.5872 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6357    7.0468   -2.7208 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9448    8.0089    0.5664 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1495    6.5431    0.0760 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1865    7.8801    0.6302 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5971    9.0388   -4.3265 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8311    7.2017   -5.4307 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9750    4.3601   -3.9948 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 48  1  0  0  0  0
  1 49  1  0  0  0  0
  1 50  1  0  0  0  0
  2  3  1  0  0  0  0
  2 51  1  0  0  0  0
  2 52  1  0  0  0  0
  3  4  1  0  0  0  0
  3 53  1  0  0  0  0
  3 54  1  0  0  0  0
  4  5  1  0  0  0  0
  4 55  1  0  0  0  0
  4 56  1  0  0  0  0
  5  6  1  0  0  0  0
  5 57  1  0  0  0  0
  5 58  1  0  0  0  0
  6  7  1  0  0  0  0
  6 59  1  0  0  0  0
  6 60  1  0  0  0  0
  7  8  1  0  0  0  0
  7 61  1  0  0  0  0
  7 62  1  0  0  0  0
  8  9  1  0  0  0  0
  8 63  1  0  0  0  0
  8 64  1  0  0  0  0
  9 10  1  0  0  0  0
  9 65  1  0  0  0  0
  9 66  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 47  1  0  0  0  0
 13 14  2  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 40  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 36  2  0  0  0  0
 18 19  2  0  0  0  0
 18 67  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 20 68  1  0  0  0  0
 20 69  1  0  0  0  0
 21 70  1  0  0  0  0
 21 71  1  0  0  0  0
 21 72  1  0  0  0  0
 22 23  1  0  0  0  0
 22 35  2  0  0  0  0
 23 24  1  0  0  0  0
 23 34  1  0  0  0  0
 24 25  1  0  0  0  0
 24 73  1  0  0  0  0
 24 74  1  0  0  0  0
 25 26  1  0  0  0  0
 25 75  1  0  0  0  0
 25 76  1  0  0  0  0
 26 27  1  0  0  0  0
 26 33  1  0  0  0  0
 26 77  1  0  0  0  0
 27 28  1  0  0  0  0
 27 32  1  0  0  0  0
 28 29  1  0  0  0  0
 28 78  1  0  0  0  0
 28 79  1  0  0  0  0
 29 30  1  0  0  0  0
 29 80  1  0  0  0  0
 29 81  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 82  1  0  0  0  0
 31 83  1  0  0  0  0
 32 84  1  0  0  0  0
 32 85  1  0  0  0  0
 33 34  1  0  0  0  0
 33 86  1  0  0  0  0
 33 87  1  0  0  0  0
 34 88  1  0  0  0  0
 34 89  1  0  0  0  0
 35 36  1  0  0  0  0
 35 90  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 38 91  1  0  0  0  0
 38 92  1  0  0  0  0
 38 93  1  0  0  0  0
 39 94  1  0  0  0  0
 39 95  1  0  0  0  0
 39 96  1  0  0  0  0
 40 41  1  0  0  0  0
 40 47  2  0  0  0  0
 41 42  2  0  0  0  0
 41 97  1  0  0  0  0
 42 43  1  0  0  0  0
 42 98  1  0  0  0  0
 43 44  1  0  0  0  0
 43 46  2  0  0  0  0
 44 45  3  0  0  0  0
 46 47  1  0  0  0  0
 46 99  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-01-24, 158👍, 0💬