Molecule FYI-1007277

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A

Molecule Summary:

ID: FYI-1007277
Names:
InChIKey: FSKFPVLPFLJRQB-UHFFFAOYSA-N
SMILES: Cc2ccc(C(=O)C(C)CN1CCCCC1)cc2

Received at FYIcenter.com on: 2024-02-14

Molecule ID: FYI-1007277 Edit

Molecule Structure InChIKey: FSKFPVLPFLJRQB-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2ccc(C(=O)C(C)CN1CCCCC1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1007277
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.8499    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    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
    7.2747    2.1000    0.0000 O   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 C   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
    4.8499    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.9000    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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    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  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11  8  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
 18 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007277-3D
FYIcenter.com

 41 42  0     1  0  0  0  0  0999 V2000
    1.3081   -2.8877   -0.1395 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4772   -0.1331   -0.3328 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0248    0.6844   -1.4245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6224    0.5448    0.9630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5069    0.9871   -1.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0911    0.8431    1.2681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7351    1.6580    0.1521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0730   -0.4532   -0.5882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5098   -1.4225    0.4612 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3122   -2.7266    0.5294 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9461   -1.7401    0.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9556   -0.6417    0.0755 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7785    0.4481    0.8972 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0255   -0.7612   -0.7818 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7225    1.4743    0.8592 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9695    0.2650   -0.8199 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8179    1.3828    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8288    2.4787   -0.0395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9298    0.1469   -2.3758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4689    1.6260   -1.5249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0439    1.4779    0.9847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2730   -0.0771    1.7915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0835    0.0545   -1.2441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8799    1.6339   -1.9995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1697    1.3888    2.2152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6393   -0.0993    1.3953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8085    1.7710    0.3397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3019    2.6657    0.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4820    0.4686   -0.6412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9822   -0.9278   -1.5752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5016   -1.0043    1.4713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3631   -3.2162   -0.4497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8517   -3.4333    1.2292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3360   -2.5514    0.8748 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9493    0.5458    1.5883 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1534   -1.6230   -1.4295 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5966    2.3377    1.5072 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8193    0.1817   -1.4922 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2687    2.5736   -1.0382 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3741    3.4452    0.2031 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6293    2.2777    0.6793 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  6  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 35  1  0  0  0  0
 14 16  2  0  0  0  0
 14 36  1  0  0  0  0
 15 17  2  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-04-14, 1339👍, 0💬