Molecule FYI-1001509

Home > Molecule

A

Molecule Summary:

ID: FYI-1001509
SMILES: O=C(NC1(C)CC1)C2C3C(C=CC=2)=NN(C=3)C4=CN=CC=C4

Received at FYIcenter.com on: 2022-08-17

Molecule ID: FYI-1001509 Edit

Molecule Structure SMILES String: O=C(NC1(C)CC1)C2C3C(C=CC=2)=NN(C=3)C4=CN=CC=C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1001509
FYIcenter.com

 22 25  0  0  0  0  0  0  0  0999 V2000
    5.0374    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3900    3.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3688    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3688    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6917    0.1876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3917    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6917    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917    2.6124    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  4  1  0  0  0  0
  7  6  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  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
 13  8  2  0  0  0  0
 14 10  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 16  9  2  0  0  0  0
 17 15  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
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001509-3D
FYIcenter.com

 38 41  0  0  0  0  0  0  0  0999 V2000
    1.0411    0.1311   -0.0724 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2361   -0.1447   -0.0857 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9404   -0.6538    0.9871 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3728   -0.9240    2.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4433    0.2391    3.2345 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5986   -2.3143    2.8424 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2209   -1.8889    2.4368 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0346    0.1307   -1.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1565   -0.5789   -1.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9581   -0.2600   -2.8971 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6432    0.8397   -3.7152 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4921    1.5507   -3.3105 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7231    1.2114   -2.1552 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9612   -1.1444   -3.0066 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7693   -2.0507   -2.0135 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6748   -1.7402   -1.2371 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6312   -3.1639   -1.8597 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7275   -3.3160   -2.7003 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5922   -4.3589   -2.6248 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3500   -5.2885   -1.6766 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2882   -5.2224   -0.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4153   -4.1402   -0.8809 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9517   -0.6218    0.9424 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4526    0.6652    3.2385 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2016   -0.0559    4.2608 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7413    1.0217    2.9297 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8080   -2.4210    3.9004 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0846   -3.0599    2.2233 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4948   -1.7007    3.2201 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7869   -2.3209    1.5423 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    1.1018   -4.5907 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1722    2.4045   -3.9097 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8503    1.8248   -1.9203 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3587   -2.3734   -0.4236 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9639   -2.5956   -3.4801 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0529   -6.1164   -1.6474 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1391   -5.9997   -0.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5833   -4.1007   -0.1862 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  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  1  0  0  0  0
  9 16  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  2  0  0  0  0
 11 12  2  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  2  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 36  1  0  0  0  0
 21 22  2  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-01, 439👍, 0💬