Molecule FYI-1006367

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A

Molecule Summary:

ID: FYI-1006367
Names:
InChIKey: JPSKBUBJWBCYKE-UHFFFAOYSA-N
SMILES: C3CC4CC(N1C2CCCC1CC2)CC(C3)N4

Received at FYIcenter.com on: 2023-12-11

Molecule ID: FYI-1006367 Edit

Molecule Structure InChIKey: JPSKBUBJWBCYKE-UHFFFAOYSA-N

Molecule Structure SMILES String: C3CC4CC(N1C2CCCC1CC2)CC(C3)N4

Download SDF Download SVG Structure in 2D SDF:

FYI-1006367
FYIcenter.com

 17 20  0  0  0  0  0  0  0  0999 V2000
    6.9419    3.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2913    5.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0188    4.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4463    3.9413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3188    2.5666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5730    1.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0713    2.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8827    3.4696    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8403    2.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    3.4696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5024    2.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1269    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    0.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7559    1.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5024    1.5180    0.0000 N   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
  7  6  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 16  9  1  0  0  0  0
 17 15  1  0  0  0  0
 17 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006367-3D
FYIcenter.com

 43 46  0  0  1  0  0  0  0  0999 V2000
   -2.1233   -0.1312   -0.8881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9080    1.1369   -0.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4831    1.2135    0.5027 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5418    1.3879   -0.6379 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5723    0.2473   -0.8330 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7705    0.7099   -0.1493 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.6182    1.7351   -0.7724 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5674    1.1605   -1.8412 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4201    0.0084   -1.3070 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6267   -0.8791   -0.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6717   -0.1297    0.6120 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2170    1.0298    1.4534 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4060    2.1863    0.4665 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0231   -1.1422   -0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2018   -1.1517    0.5150 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5422   -1.3738   -0.2146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2413    0.0497    1.3360 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6605   -0.0086   -1.8743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1936   -0.2727   -1.0631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6324    1.1697    0.7585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1126    2.0162   -0.6911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4414    2.1031    1.1369 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0566    2.3350   -0.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0512    1.5779   -1.5992 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8076    0.1660   -1.9011 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0533    2.5719   -1.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2324    1.9552   -2.2065 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    0.8209   -2.7080 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2957    0.4110   -0.7852 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8253   -0.5875   -2.1398 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3224   -1.5082    0.2215 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0246   -1.5622   -0.9595 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1853   -0.8360    1.2896 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1018    0.8069    2.0515 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4253    1.3362    2.1635 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4658    2.3606    0.2589 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9891    3.1141    0.8774 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8015   -1.7328    0.0864 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8076   -1.7250   -1.3139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0898   -2.0116    1.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2772   -1.7346    0.5144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4397   -2.1692   -0.9643 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    0.1501    1.7873 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-29, 270👍, 0💬