Molecule FYI-1000453

Home > Molecule

A

Molecule Summary:

ID: FYI-1000453
SMILES: CC(C(=O)N(C1CCN(CCC2C=CC=CC=2)CC1)C1C=CC(F)=CC=1)C

Received at FYIcenter.com on: 2021-07-06

Molecule ID: FYI-1000453 Edit

Molecule Structure SMILES String: CC(C(=O)N(C1CCN(CCC2C=CC=CC=2)CC1)C1C=CC(F)=CC=1)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1000453
FYIcenter.com

 27 29  0  0  0  0  0  0  0  0999 V2000
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   12.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   13.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   12.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    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  2  0  0  0  0
  5  3  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  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
 17 12  2  0  0  0  0
 18  9  1  0  0  0  0
 19 18  1  0  0  0  0
 19  6  1  0  0  0  0
 20  5  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  2  0  0  0  0
 26 25  1  0  0  0  0
 26 20  2  0  0  0  0
 27  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000453-3D
FYIcenter.com

 56 58  0  0  0  0  0  0  0  0999 V2000
    4.3033    1.7477    1.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7098    2.3552    0.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8841    1.3183   -0.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2807    0.4636    0.0917 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7726    1.4319   -1.9706 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8863    0.5476   -2.8316 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0773   -0.5485   -2.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9548   -1.7177   -1.7378 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6185   -2.3527   -2.8867 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4924   -3.4568   -2.4103 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7454   -4.5314   -1.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6697   -5.5697   -1.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2621   -5.3677    0.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0990   -6.3359    0.7853 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3529   -7.5119    0.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7762   -7.7189   -1.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9360   -6.7534   -1.7231 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4258   -1.3631   -3.6277 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6351   -0.1085   -4.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3157    2.5570   -2.6683 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000    2.7710   -2.7036 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2220    3.8906   -3.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3658    4.7642   -4.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8680    5.8360   -4.6381 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9938    4.5409   -4.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4711    3.4383   -3.3597 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8470    3.5590    0.6051 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9670    0.9097    1.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5302    1.3802    2.1998 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8962    2.4964    2.0562 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5689    2.7005   -0.3269 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1308    1.2156   -3.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3269   -0.9236   -2.8631 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4996   -0.1621   -1.3066 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2805   -2.4195   -1.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7203   -1.4282   -1.0146 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3143   -3.0484   -1.8053 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9568   -3.9422   -3.2791 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9770   -5.0088   -2.2153 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2147   -4.0990   -0.7410 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0605   -4.4579    0.8001 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5466   -6.1785    1.7648 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0024   -8.2691    0.5096 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9700   -8.6358   -1.7164 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4800   -6.9217   -2.6958 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7912   -1.8322   -4.5517 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3086   -1.0597   -3.0516 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8896   -0.4014   -4.7744 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3021    0.5994   -4.5245 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3811    2.0694   -2.2295 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2897    4.0840   -3.3521 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3437    5.2274   -4.5639 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3925    3.3041   -3.3549 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0737    3.2838    1.3307 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3466    3.9845   -0.2683 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4640    4.3441    1.0573 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  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 41  1  0  0  0  0
 14 15  1  0  0  0  0
 14 42  1  0  0  0  0
 15 16  2  0  0  0  0
 15 43  1  0  0  0  0
 16 17  1  0  0  0  0
 16 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 19  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
 20 21  1  0  0  0  0
 20 26  2  0  0  0  0
 21 22  2  0  0  0  0
 21 50  1  0  0  0  0
 22 23  1  0  0  0  0
 22 51  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 52  1  0  0  0  0
 26 53  1  0  0  0  0
 27 54  1  0  0  0  0
 27 55  1  0  0  0  0
 27 56  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-01, 2045👍, 0💬