Molecule FYI-1009358

A

Molecule Summary:

ID: FYI-1009358
Names:
InChIKey: INPKIOZKYGWYFU-UHFFFAOYSA-N
SMILES: CCn1ccnc1CNC3C=CC=C(OC2C=CC=CC2C(N)=O)C3

Received at FYIcenter.com on: 2024-05-09

Molecule ID: FYI-1009358 Edit

Molecule Structure InChIKey: INPKIOZKYGWYFU-UHFFFAOYSA-N

Molecule Structure SMILES String: CCn1ccnc1CNC3C=CC=C(OC2C=CC=CC2C(N)=O)C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1009358
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.0167    5.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0571    6.4612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7660    7.8305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    8.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0028   10.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6334    9.7923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 O   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
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    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
    3.6374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   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  2  0  0  0  0
  6  5  1  0  0  0  0
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  7  3  1  0  0  0  0
  8  7  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  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 25 14  1  0  0  0  0
 25 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009358-3D
FYIcenter.com

 49 51  0  0  1  0  0  0  0  0999 V2000
   -1.9302    0.6433    1.9652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5527    1.2669    1.8348 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4414    0.6130    2.6635 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7115    0.9618    3.9616 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7484    0.1497    4.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1170   -0.6798    3.3208 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3053   -0.4015    2.3127 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3216   -1.0672    0.9675 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8893   -2.4227    0.9891 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1090   -3.4131    1.7570 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2720   -3.6059    1.1888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6137   -4.6814    0.4623 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3653   -5.6941    0.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5422   -5.7743    0.7613 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4550   -6.7433    0.3653 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3341   -7.2947    1.3687 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1963   -8.8017    1.3046 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1481   -9.6094    0.8140 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3333   -9.0737    0.1957 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6412   -7.7744    0.3042 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7940   -6.8057    1.1164 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4950   -6.5722    2.4630 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7704   -6.0774    2.4072 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9851   -6.7623    3.5633 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8943   -4.7662    1.8365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6839    1.2911    1.5073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2075    0.4872    3.0147 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2515    0.1213    5.3028 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9595   -0.4599    0.3129 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3314   -1.0698    0.5024 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7966   -2.3344    1.4527 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0024   -3.0662    2.7919 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0250  -10.6880    0.8257 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7663   -5.8450    0.5859 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3360   -6.1555    1.5746 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2542   -6.0217    3.2949 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9719   -4.5667    1.8415 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621   -5.2266    2.8068 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  2  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 12 38  1  0  0  0  0
 13 14  2  0  0  0  0
 13 39  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  2  0  0  0  0
 17 41  1  0  0  0  0
 18 19  1  0  0  0  0
 18 42  1  0  0  0  0
 19 20  2  0  0  0  0
 19 43  1  0  0  0  0
 20 21  1  0  0  0  0
 20 44  1  0  0  0  0
 21 22  1  0  0  0  0
 21 45  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
M  END
$$$$

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2024-05-15, 159👍, 0💬