Molecule FYI-1014041

A

Molecule Summary:

ID: FYI-1014041
Names:
InChIKey: NJIWNHXYDPMSIB-UHFFFAOYSA-N
SMILES: Clc4ccc(C3C(c1ccccc1)CC2NCCC23)cc4Cl

Received at FYIcenter.com on: 2025-02-21

Molecule ID: FYI-1014041 Edit

Molecule Structure InChIKey: NJIWNHXYDPMSIB-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc4ccc(C3C(c1ccccc1)CC2NCCC23)cc4Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1014041
FYIcenter.com

 22 25  0  0  0  0  0  0  0  0999 V2000
    1.2125    3.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.9776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9163    5.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    6.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    7.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7837    7.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2074    4.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1670    3.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4581    1.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7896    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8300    2.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5389    3.7062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2225    6.8397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3688    8.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0898    8.8014    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7826    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.2296    2.3688    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 10 20  1  0  0  0  0
  9 18  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014041-3D
FYIcenter.com

 41 44  0  0  1  0  0  0  0  0999 V2000
    1.3537    1.6316   -0.1353 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0838    0.6788   -0.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    1.3400   -0.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5049    0.6221   -0.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5060   -0.7677    0.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7996   -1.5772    0.3240 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.7143   -1.5278   -0.9321 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.3833   -2.8256   -1.3839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6888   -3.8801   -0.5166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4284   -4.9896   -0.9378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8313   -5.0938   -2.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4818   -4.0950   -3.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7750   -2.9672   -2.7269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7685   -0.4463   -0.6213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7201   -0.1463    0.8833 C   0  0  3  0  0  0  0  0  0  0  0  0
   -6.9409   -0.4590    1.6214 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8283   -1.8360    2.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3521   -1.9974    2.4056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6186   -1.0047    1.5017 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2650   -1.4216    0.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0622   -0.7064    0.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4139   -1.5945    0.2782 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3399    2.4181   -0.2918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4337    1.1808   -0.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4946   -2.6075    0.5401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1152   -1.1959   -1.7928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3815   -3.8641    0.5163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6940   -5.7570   -0.2162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4088   -5.9548   -2.5823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7719   -4.1885   -4.2053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5373   -2.1930   -3.4535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7753   -0.7087   -0.9661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5065    0.4742   -1.1607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5038    0.9176    1.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7725   -0.3380    1.0454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1590   -2.5245    1.3025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4535   -2.0107    2.9648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9978   -3.0285    2.3271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1883   -1.7076    3.4508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9806   -0.4034    2.1629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2289   -2.4985    0.3813 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  2  0  0  0  0
  3  4  2  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  2  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  2  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 41  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
$$$$

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2025-03-12, 1296👍, 0💬