Molecule FYI-1003868

A

Molecule Summary:

ID: FYI-1003868
Names:
InChIKey: HDPNGUSXCBMYQP-ZHJGPJRJSA-N
SMILES: C(=CN/C/1=C/CC/C=C\\C=C1)=Cc3cccc([C@H]2C=CCC=CC2)c3

Received at FYIcenter.com on: 2023-08-01

Molecule ID: FYI-1003868 Edit

Molecule Structure InChIKey: HDPNGUSXCBMYQP-ZHJGPJRJSA-N

Molecule Structure SMILES String: C(=CN/C/1=C/CC/C=C\C=C1)=Cc3cccc([C@H]2C=CCC=CC2)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003868
FYIcenter.com

 25 27  0  0  1  0  0  0  0  0999 V2000
    6.9884    3.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7760    2.6814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5634    3.3814    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3510    2.6814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2403    3.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8523    3.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1828    0.8522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2935    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6816    0.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5337    1.2935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2008    4.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4132    3.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4132    1.9814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8381    1.9814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.3566    6.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6257    4.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 24 18  1  0  0  0  0
 25 17  2  0  0  0  0
 25 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003868-3D
FYIcenter.com

 50 52  0  0  1  0  0  0  0  0999 V2000
    8.6760    0.0500    5.1445 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8042    0.6343    6.3368 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8190    0.4560    7.3067 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0311    0.9792    8.6234 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2329    1.8281    9.3359 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3022    2.5226   10.7419 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1675    2.1917   12.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6602    2.4039   11.8387 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3617    1.3854   11.2897 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1523    1.3655    9.8270 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2182    0.5081    9.3596 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4152   -0.6201    4.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9343   -0.1568    2.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8193    1.2065    2.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4073    1.6709    1.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0939    0.7997    0.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1607   -0.5944    0.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7896   -1.4378   -1.0876 C   0  0  1  0  0  0  0  0  0  0  0  0
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    8.0456   -2.3481   -3.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0277   -3.0981   -3.9796 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7394   -3.4926   -3.3456 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8971   -2.6771   -0.8734 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5881   -1.0520    1.5079 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9836    1.2346    6.7197 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4995    3.5823   10.5220 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8617    2.8818   12.8198 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8820    3.4244   11.5190 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1952    0.3976   11.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6577   -2.1268    1.6681 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
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  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
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  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  2  3  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  2  0  0  0  0
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 16 17  2  0  0  0  0
 16 40  1  0  0  0  0
 17 25  1  0  0  0  0
 18 19  1  0  0  0  0
 18 24  1  0  0  0  0
 18 17  1  0  0  0  0
 18 41  1  6  0  0  0
 19 20  2  0  0  0  0
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 25 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 2669👍, 0💬