Molecule FYI-1003009

A

Molecule Summary:

ID: FYI-1003009
Names:
InChIKey: DKGZKTPJOSAWFA-UHFFFAOYSA-N
SMILES: O=C(CCCN1CCC2(CC1)C(=O)NCN2c3ccccc3)c4ccc(F)cc4

Received at FYIcenter.com on: 2023-05-06

Molecule ID: FYI-1003009 Edit

Molecule Structure InChIKey: DKGZKTPJOSAWFA-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(CCCN1CCC2(CC1)C(=O)NCN2c3ccccc3)c4ccc(F)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1003009
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
   10.0570    0.1611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7659    1.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    2.5710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0028    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6333    3.4923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5930    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8841    5.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8436    6.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5122    6.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2211    4.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2615    3.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    2.4249    0.0000    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
    1.2124    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
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    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  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
 12  5  1  0  0  0  0
 12  2  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  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 23  1  0  0  0  0
 26 25  2  0  0  0  0
 26 20  1  0  0  0  0
 27 19  2  0  0  0  0
 28 15  1  0  0  0  0
 29 28  1  0  0  0  0
 29 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003009-3D
FYIcenter.com

 55 58  0     1  0  0  0  0  0999 V2000
   -4.4950    3.5653    0.6610 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8151   -2.9047    0.4860 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9523   -2.6792    0.3893 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2378    0.5702    0.0669 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.0852   -2.2457    0.1187 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9652   -0.8964    0.3575 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125   -0.7753    0.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9268   -1.1839   -1.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7239   -0.9098    1.4115 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0134   -2.4046   -1.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8241   -2.1492    1.3832 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8349   -1.6891    0.3559 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6893    0.4925    0.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8533   -3.3678    0.1641 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    1.8000   -0.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6369   -3.4552   -1.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3636    3.0106   -0.1888 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2076    1.9213   -0.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4431   -2.1841   -1.4279 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7428    4.2467   -0.3702 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5869    3.1573   -0.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4147   -1.8257   -0.3124 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3544    4.3201   -0.4833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7042   -0.3866   -0.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6414    0.5008   -1.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0230    0.0029    1.2292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9110    1.8476   -0.8606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2924    1.3498    1.4726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2363    2.2721    0.4276 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3287   -0.3672   -1.5688 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6812   -1.4004   -1.9235 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0815   -0.0356    1.5483 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3448   -0.9484    2.3169 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6124   -3.3175   -0.8995 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5016   -2.4743   -1.9703 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1193   -2.0671    2.2204 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4190   -3.0537    1.5622 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0657    1.0226    1.0661 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2013    0.8280   -0.7220 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9021   -1.2704    0.4705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3234   -4.3166    0.3218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5384   -3.2511    1.0108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3442   -4.2896   -1.0410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0237   -3.7303   -2.0099 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4479    3.0092   -0.1065 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5521    1.0580   -0.1908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7535   -1.3540   -1.6112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0342   -2.3310   -2.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3400    5.1524   -0.4235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4942    3.2150   -0.5029 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8709    5.2823   -0.6245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4103    0.1942   -2.1189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0643   -0.7028    2.0532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8714    2.5657   -1.6745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5444    1.6810    2.4757 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  2 12  2  0  0  0  0
  3 22  2  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  4 15  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 40  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 11  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 16  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 20  1  0  0  0  0
 17 45  1  0  0  0  0
 18 21  2  0  0  0  0
 18 46  1  0  0  0  0
 19 22  1  0  0  0  0
 19 47  1  0  0  0  0
 19 48  1  0  0  0  0
 20 23  2  0  0  0  0
 20 49  1  0  0  0  0
 21 23  1  0  0  0  0
 21 50  1  0  0  0  0
 22 24  1  0  0  0  0
 23 51  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 52  1  0  0  0  0
 26 28  2  0  0  0  0
 26 53  1  0  0  0  0
 27 29  2  0  0  0  0
 27 54  1  0  0  0  0
 28 29  1  0  0  0  0
 28 55  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-05-31, 655👍, 0💬