Molecule FYI-1005159

A

Molecule Summary:

ID: FYI-1005159
Names:
InChIKey: FJOTZBQCXMYTTL-UHFFFAOYSA-N
SMILES: O=C(O)C4CN(C1CC1)c3cc(N2CCNCC2)c(F)cc3C4=O

Received at FYIcenter.com on: 2023-10-16

Molecule ID: FYI-1005159 Edit

Molecule Structure InChIKey: FJOTZBQCXMYTTL-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)C4CN(C1CC1)c3cc(N2CCNCC2)c(F)cc3C4=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005159
FYIcenter.com

 24 27  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    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
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    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    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   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
    8.4870    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  4  7  1  0  0  0  0
 10 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  1  0  0  0  0
  7 22  1  0  0  0  0
 23 24  1  0  0  0  0
 22 24  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005159-3D
FYIcenter.com

 44 47  0     1  0  0  0  0  0999 V2000
   -2.2903    2.7831   -0.1002 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7200    2.5880   -0.1424 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6212   -0.0707   -0.6381 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0222    1.4167    0.9820 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4971   -1.3149    0.1452 N   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1592    0.1558    0.0871 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8991   -0.6366   -0.0303 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1365   -2.7401    0.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8060   -3.5538   -0.9436 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0755   -3.8118   -0.1861 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8450   -0.9191    0.5449 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5335   -0.2855    0.0749 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3231    0.2616   -0.2893 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9183    1.0667   -0.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3579    1.4163   -0.1352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8467   -0.5579    0.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7955    0.4678    0.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0308    2.0972   -0.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9933    0.5564   -1.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6127   -1.0307    0.8210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3878    1.7935   -0.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7224    0.6167    0.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4649    0.6163   -0.6464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0985   -0.9151    1.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5969   -2.9495    1.1845 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8870   -3.0878   -1.9180 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0093   -4.2825   -0.8592 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1321   -4.7164    0.4076 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9966   -3.5596   -0.6957 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5566   -1.7451    0.4408 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8395   -0.6623    1.6136 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3196    0.0115   -1.3593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1766   -1.5917    0.1626 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2686    3.1381   -0.1776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8584   -0.1700   -1.8663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7086    1.5357   -1.4532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0565   -1.1432    1.7600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4461   -1.9308    0.2154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6320    1.4512    0.0458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0768    0.8083   -1.5345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4392   -1.8544    1.6099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2551   -0.1269    1.9080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8805   -0.5584    0.2348 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5452    0.1488   -0.3930 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2 15  2  0  0  0  0
  3 22  1  0  0  0  0
  3 44  1  0  0  0  0
  4 22  2  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 17  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 43  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 13  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 14  1  0  0  0  0
 12 16  2  0  0  0  0
 13 15  1  0  0  0  0
 13 22  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  2  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
 17 21  2  0  0  0  0
 18 21  1  0  0  0  0
 18 34  1  0  0  0  0
 19 23  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 24  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-02, 1497👍, 0💬