Molecule FYI-1014392

A

Molecule Summary:

ID: FYI-1014392
Names:
InChIKey: KVEJWQIMSUJHNY-UHFFFAOYSA-N
SMILES: CCC(C)N3CCC(OC(=O)c1cccc2ccccc12)CC3

Received at FYIcenter.com on: 2025-04-12

Molecule ID: FYI-1014392 Edit

Molecule Structure InChIKey: KVEJWQIMSUJHNY-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(C)N3CCC(OC(=O)c1cccc2ccccc12)CC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1014392
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
   12.1243    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    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
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   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 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
    0.0000    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
    2.4249    2.8000    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
    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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  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
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  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
 23 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014392-3D
FYIcenter.com

 48 50  0  0  1  0  0  0  0  0999 V2000
    0.9070    0.2203    0.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4130    0.2237   -0.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9711   -1.0896   -0.8293 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3267   -1.3875   -2.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4620   -1.0956   -0.8468 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9976   -2.3555   -1.3922 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5212   -2.4199   -1.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1418   -1.2345   -2.0644 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8142   -1.2707   -3.4720 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5810   -2.0982   -4.2289 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5021   -2.7774   -3.7978 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1543   -2.0664   -5.6585 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6213   -0.8676   -6.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2984   -0.7547   -7.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5040   -1.8348   -8.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0225   -3.0487   -7.8909 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2224   -4.1187   -8.7813 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -5.3383   -8.3412 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0422   -5.5070   -7.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8492   -4.4535   -6.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3512   -3.1908   -6.5168 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5852    0.0556   -1.4736 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0564    0.0761   -1.5068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6006    1.1618    0.4728 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6084   -0.6015    0.6616 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3574    0.1369   -0.9366 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9043    0.4151    0.7402 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6376    1.0749   -0.8759 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6676   -1.8972   -0.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5387   -0.5975   -2.9223 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2411   -1.4886   -2.1085 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6657   -2.3391   -2.6143 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7095   -2.4893   -2.4406 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5919   -3.2048   -0.8297 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8479   -3.3661   -1.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8496   -2.4221   -0.2806 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2308   -1.2300   -1.9411 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4765   -0.0054   -5.5198 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9021    0.1793   -7.9053 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2561   -1.7211   -9.4217 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9603    0.9195   -2.0351 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9319    0.1627   -0.4374 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7131    0.1592   -2.5433 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7614    0.9939   -0.9876 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 29  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  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 21  2  0  0  0  0
 13 14  2  0  0  0  0
 13 38  1  0  0  0  0
 14 15  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  2  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  2  0  0  0  0
 17 41  1  0  0  0  0
 18 19  1  0  0  0  0
 18 42  1  0  0  0  0
 19 20  2  0  0  0  0
 19 43  1  0  0  0  0
 20 21  1  0  0  0  0
 20 44  1  0  0  0  0
 22 23  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
M  END
$$$$

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2025-04-26, 1366👍, 0💬