Molecule FYI-1011988

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A

Molecule Summary:

ID: FYI-1011988
Names:
InChIKey: QRCYVBBBRIVFPW-UHFFFAOYSA-N
SMILES: O=C1CCCCCCCCCNC(=O)CCCN1

Received at FYIcenter.com on: 2024-08-14

Molecule ID: FYI-1011988 Edit

Molecule Structure InChIKey: QRCYVBBBRIVFPW-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1CCCCCCCCCNC(=O)CCCN1

Download SDF Download SVG Structure in 2D SDF:

FYI-1011988
FYIcenter.com

 18 18  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 O   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
    2.4249    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
    4.8499    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 C   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
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    6.3000    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
    2.4249    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    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
    1.2125    2.8000    0.0000 N   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  1  0  0  0  0
  7  6  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  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 18  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011988-3D
FYIcenter.com

 44 44  0  0  0  0  0  0  0  0999 V2000
    0.9776   -0.0714    0.1019 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1863   -0.0573   -0.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9821    1.2331   -0.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1224    1.6951    1.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9475    2.9620    1.5169 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1085    3.3701    2.9894 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2720    2.6731    3.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8558    1.4482    4.5291 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0701    0.8267    5.2219 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7502   -0.4951    5.9272 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0136   -1.7332    5.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9169   -2.1138    4.1973 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0747   -3.2416    3.4132 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1526   -3.8119    3.2681 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8305   -3.7247    2.6975 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7646   -3.1611    1.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8259   -1.9667    1.2279 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9937   -1.1807    0.0272 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4590    1.9674   -0.7156 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9695    1.0612   -0.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5782    0.8911    1.9416 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1223    1.8565    1.7828 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4399    3.7741    0.9830 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9291    2.8390    1.0459 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1693    3.2318    3.5388 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3159    4.4472    3.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7290    3.3990    4.3934 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0528    2.3949    2.9905 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3721    0.7033    3.8955 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1257    1.7506    5.2906 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4353    1.5395    5.9731 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8897    0.6872    4.5071 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7279   -0.4962    6.3227 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4211   -0.5626    6.7938 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1956   -2.5880    5.7320 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9166   -1.6084    4.4593 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9778   -1.8524    4.4711 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9354   -3.4831    3.2817 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8897   -4.8184    2.6593 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3934   -3.9279    0.5904 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7645   -2.8795    0.9269 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0333   -1.2950    2.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7794   -2.2801    1.3169 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9511   -1.0532   -0.2687 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
 12 37  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 18  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 44  1  0  0  0  0
M  END
$$$$

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2024-10-14, 1484👍, 0💬