Molecule FYI-1006015

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A

Molecule Summary:

ID: FYI-1006015
Names:
InChIKey: ZSCDBOWYZJWBIY-UHFFFAOYSA-N
SMILES: CC(CN(C)C)CN3c1ccccc1CCc2ccccc23

Received at FYIcenter.com on: 2023-11-24

Molecule ID: FYI-1006015 Edit

Molecule Structure InChIKey: ZSCDBOWYZJWBIY-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(CN(C)C)CN3c1ccccc1CCc2ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1006015
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.0958    6.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4073    4.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7451    4.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7713    5.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4598    6.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1221    7.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1558    5.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8558    4.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3442    2.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0065    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6949    0.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7212    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0591    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3706    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.1057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.4058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.4058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.2057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.6057    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  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 15  3  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 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006015-3D
FYIcenter.com

 48 50  0     1  0  0  0  0  0999 V2000
   -0.3943   -0.0093   -0.7681 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9300    2.2073    0.9022 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6679    1.3621   -1.0680 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2934    0.9626   -1.6334 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750   -1.2326   -0.4884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7255    0.3566   -0.4404 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6026    1.9459    0.3563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0522   -1.7935    1.6886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3578   -0.3291    1.9571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0327   -2.0774    0.6058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2289    0.2188    0.8638 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3881    2.3429   -2.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2904   -1.6877   -1.3720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5895    0.8852   -1.4243 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6416   -3.3160    0.7479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5492    0.6022    1.1601 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9582   -2.9031   -1.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8998    1.2617   -1.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6290   -3.7234   -0.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3798    1.1209    0.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7036    0.9679    0.9897 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8298    2.8381    2.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3025    0.4791   -1.0536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2730    1.9011   -1.7146 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3691    0.5852   -2.6612 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0654    1.2665    1.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0252    2.8791    0.3218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9711   -2.3451    1.4492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6707   -2.2077    2.6321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4519    0.2697    2.0776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8881   -0.2574    2.9156 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4327    1.9399   -3.0181 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4187    2.5331   -1.6847 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625    3.3029   -2.0446 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5537   -1.1398   -2.2737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2573    0.9881   -2.4557 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3956   -3.9756    1.5787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9390    0.4968    2.1698 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7168   -3.2102   -1.9162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5426    1.6596   -1.9032 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1318   -4.6754   -0.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3980    1.4116    0.4111 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0405    0.6201    0.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1530    0.1629    1.4903 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6281    1.1361    1.5560 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2762    3.7814    2.1534 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    3.0873    2.6044 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3278    2.1931    2.9496 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 12  1  0  0  0  0
  3 23  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 10  1  0  0  0  0
  5 13  2  0  0  0  0
  6 11  1  0  0  0  0
  6 14  2  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 11  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 17  1  0  0  0  0
 13 35  1  0  0  0  0
 14 18  1  0  0  0  0
 14 36  1  0  0  0  0
 15 19  1  0  0  0  0
 15 37  1  0  0  0  0
 16 20  1  0  0  0  0
 16 38  1  0  0  0  0
 17 19  2  0  0  0  0
 17 39  1  0  0  0  0
 18 20  2  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-01, 317👍, 0💬