Molecule FYI-1012683

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Molecule Summary:

ID: FYI-1012683
Names:
InChIKey: IAPIHENKRPGOPX-UHFFFAOYSA-N
SMILES: CCCC2C(=O)Nc1ccc(Cl)cc1C2CC3CCCCC3

Received at FYIcenter.com on: 2024-10-09

Molecule ID: FYI-1012683 Edit

Molecule Structure InChIKey: IAPIHENKRPGOPX-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCC2C(=O)Nc1ccc(Cl)cc1C2CC3CCCCC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1012683
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 Cl  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
    3.6373    4.9000    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
    4.8497    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 O   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
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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 C   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
    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
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  3  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
 11  2  1  0  0  0  0
 12 10  2  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16  8  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  1  0  0  0  0
 22 21  1  0  0  0  0
 22 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012683-3D
FYIcenter.com

 48 50  0  0  1  0  0  0  0  0999 V2000
    3.3116   -0.7773   -1.3966 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6240    0.0264   -0.3031 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2788   -0.1258    1.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7761    0.2280    1.1447 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4316   -0.2968    2.4136 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9123   -1.1280    3.1572 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7059    0.1447    2.6595 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3592    1.1209    1.9073 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7234    1.3366    2.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3954    2.2660    1.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6953    2.9892    0.3425 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5354    4.1113   -0.6521 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.3201    2.8122    0.1842 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6374    1.8818    0.9725 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.7084    0.8823 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3891    2.8249    1.6682 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6712    3.0668    3.1857 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0949    1.9535    4.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6767    2.2752    5.5107 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542    3.6795    5.7074 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1002    4.6850    5.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1446    4.4643    3.5695 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6457   -0.8949   -2.2571 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5892   -1.7764   -1.0446 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2162   -0.2692   -1.7450 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5862   -0.3196   -0.2207 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5778    1.0816   -0.5938 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1418   -1.1695    1.3868 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7049    0.4659    1.7919 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2738   -0.3669    0.3636 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1673   -0.2792    3.4536 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2763    0.7672    2.8466 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4635    2.4151    1.4429 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7845    3.3968   -0.5605 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8750    1.8778   -0.1740 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3082    2.6973    1.5257 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6259    3.7674    1.1506 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7567    3.0981    3.3426 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8625    1.1889    4.1900 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2425    1.4843    3.5820 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5402    2.1185    6.1714 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9215    1.5487    5.8259 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0501    3.8799    6.7801 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1549    3.7722    5.2651 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1031    4.5847    5.5058 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7537    5.7010    5.2917 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7948    5.2310    3.1186 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1463    4.6203    3.1528 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  2  0  0  0  0
  9 10  2  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 20  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 22  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
M  END
$$$$

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2024-11-23, 996👍, 0💬