Molecule FYI-1015012

A

Molecule Summary:

ID: FYI-1015012
Names:
InChIKey: HYILBMLMQFELSV-UHFFFAOYSA-N
SMILES: COc3ccc(CN(C(=O)c1ccc(OC)cc1)C(=O)c2cccnc2)cc3

Received at FYIcenter.com on: 2025-06-13

Molecule ID: FYI-1015012 Edit

Molecule Structure InChIKey: HYILBMLMQFELSV-UHFFFAOYSA-N

Molecule Structure SMILES String: COc3ccc(CN(C(=O)c1ccc(OC)cc1)C(=O)c2cccnc2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015012
FYIcenter.com

 28 30  0  0  0  0  0  0  0  0999 V2000
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  2  0  0  0  0
 12  5  1  0  0  0  0
 13  3  1  0  0  0  0
 14 13  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  1  0  0  0  0
 20 17  1  0  0  0  0
 21 20  2  0  0  0  0
 21 14  1  0  0  0  0
 22 13  2  0  0  0  0
 23  2  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015012-3D
FYIcenter.com

 48 50  0  0  0  0  0  0  0  0999 V2000
   10.1182   -2.6467    2.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6073   -1.4553    2.1348 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4480   -0.9434    2.6461 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6345   -1.5504    3.5974 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5403   -0.8576    4.1303 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2458    0.4615    3.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2374    1.3461    4.4674 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6920    0.7174    5.6800 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5050   -0.0618    5.6176 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1199   -0.8110    6.5172 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5847   -0.0176    4.4269 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0074   -0.1408    3.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1346    0.1059    2.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7910    0.3722    2.2797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1379    0.6926    1.3306 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3589    1.0146    0.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3191    0.3064    3.5919 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2078    0.1241    4.6617 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3073    0.9328    6.9395 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397    0.5416    8.0126 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5584    1.7680    7.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6857    1.7311    6.2701 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7480    2.6142    6.4592 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7036    3.4619    7.5464 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6809    3.4769    8.4252 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6426    2.6297    8.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0044    1.0170    2.6903 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0975    0.3197    2.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1821   -2.7141    2.4756 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6126   -3.5184    2.2993 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0492   -2.6480    3.8182 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -2.5456    3.9790 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9710   -1.3522    4.9174 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4392    1.6580    3.7894 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7193    2.2856    4.7376 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0267   -0.4064    2.8547 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5408    0.0856    1.0307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4368    1.5253   -0.5171 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6161    0.0995   -0.5088 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2139    1.6996    0.0723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    0.4232    3.7872 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8178    0.0992    5.6780 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7924    1.0134    5.4750 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5929    2.6202    5.7780 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5161    4.1536    7.7512 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542    2.6672    8.9344 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7965    2.0206    2.3248 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7118    0.7848    1.3944 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  2  0  0  0  0
  4  5  2  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  2  0  0  0  0
  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  2  0  0  0  0
 12 13  2  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  2  0  0  0  0
 15 16  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  1  0  0  0  0
 17 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  2  0  0  0  0
 22 23  2  0  0  0  0
 22 43  1  0  0  0  0
 23 24  1  0  0  0  0
 23 44  1  0  0  0  0
 24 25  2  0  0  0  0
 24 45  1  0  0  0  0
 25 26  1  0  0  0  0
 26 46  1  0  0  0  0
 27 28  1  0  0  0  0
 27 47  1  0  0  0  0
 28 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-06-18, 1085👍, 0💬