Molecule FYI-1004796

A

Molecule Summary:

ID: FYI-1004796
Names:
InChIKey: AHOUBRCZNHFOSL-YOEHRIQHSA-N
SMILES: Fc4ccc([C@@H]1CCNC[C@H]1COc3ccc2OCOc2c3)cc4

Received at FYIcenter.com on: 2023-09-25

Molecule ID: FYI-1004796 Edit

Molecule Structure InChIKey: AHOUBRCZNHFOSL-YOEHRIQHSA-N

Molecule Structure SMILES String: Fc4ccc([C@@H]1CCNC[C@H]1COc3ccc2OCOc2c3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1004796
FYIcenter.com

 24 27  0  0  1  0  0  0  0  0999 V2000
    9.5274    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5274    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3150    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1026    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1026    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3150    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3150    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1026    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1026    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3150    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5274    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5274    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3150    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8902    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    1.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    2.1307    0.0000 O   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  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  1  0  0  0
  8  7  2  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
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
  5 14  1  6  0  0  0
 15 14  1  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
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 24 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004796-3D
FYIcenter.com

 44 47  0     1  0  0  0  0  0999 V2000
    1.6246    4.9026   -0.1871 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3017   -1.8571   -0.1168 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3727    0.3262   -1.5001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2213    0.3613    0.7554 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6671   -3.1817   -0.3814 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3480   -0.6677    0.3573 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9253   -1.4793   -0.8952 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8087   -0.9861    0.7283 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2557   -2.9711   -0.7023 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0394   -2.4899    0.8505 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4314   -1.3243   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1531    0.8325    0.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7840    1.5936    1.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3453    1.4373   -1.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6053    2.9704    1.1816 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1668    2.8141   -1.1631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5349   -1.3062    0.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7968    3.5808   -0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2750   -0.7777   -0.9169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0193   -1.2903    1.4496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5073   -0.2365   -0.6133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9918   -0.2163    0.6748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2707   -0.7364    1.7300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4569    0.7018   -0.6262 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7213   -1.0027    1.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4903   -1.1515   -1.7760 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0714   -0.5029    1.6778 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4891   -0.5724   -0.0285 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6424   -3.4211    0.0878 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0254   -3.5214   -1.6221 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0979   -2.6807    1.0588 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4742   -2.8977    1.6972 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1824   -1.8891   -2.1087 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2029   -0.2686   -1.3846 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2382   -2.8258   -1.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6332    1.1301    2.2874 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6602    0.8875   -1.9078 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3172    3.5675    2.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3214    3.2909   -2.1265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9443   -0.7968   -1.9488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4236   -1.7079    2.2569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6557   -0.7182    2.7432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3694    0.1957   -0.9616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6078    1.7849   -0.6998 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 11  1  0  0  0  0
  2 17  1  0  0  0  0
  3 21  1  0  0  0  0
  3 24  1  0  0  0  0
  4 22  1  0  0  0  0
  4 24  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 25  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 36  1  0  0  0  0
 14 16  2  0  0  0  0
 14 37  1  0  0  0  0
 15 18  2  0  0  0  0
 15 38  1  0  0  0  0
 16 18  1  0  0  0  0
 16 39  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 40  1  0  0  0  0
 20 23  2  0  0  0  0
 20 41  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-12, 2408👍, 0💬