Molecule FYI-1015433

A

Molecule Summary:

ID: FYI-1015433
Names:
InChIKey: DNVWRAINQJCGIW-XBXARRHUSA-N
SMILES: Cc2c(C(=O)/C=C/c1ccc(Cl)c(Cl)c1)nnn2c4ccc3c(cnn3C)c4

Received at FYIcenter.com on: 2025-09-02

Molecule ID: FYI-1015433 Edit

Molecule Structure InChIKey: DNVWRAINQJCGIW-XBXARRHUSA-N

Molecule Structure SMILES String: Cc2c(C(=O)/C=C/c1ccc(Cl)c(Cl)c1)nnn2c4ccc3c(cnn3C)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1015433
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
   10.0571    5.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7659    4.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6333    2.1077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0028    1.8166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    3.0290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    3.1753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6645    4.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0569    4.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8797    3.4681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3103    2.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3508    1.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5632    1.9523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2721    3.3216    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.2088    4.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9180    2.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  2  0  0  0  0
 15  8  1  0  0  0  0
 16  3  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 18  2  1  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
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 26 22  1  0  0  0  0
 27 26  1  0  0  0  0
 28 23  2  0  0  0  0
 28 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015433-3D
FYIcenter.com

 43 46  0  0  0  0  0  0  0  0999 V2000
    0.6565    0.0892   -0.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0913    0.1976    0.3623 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1049   -0.7526    0.3102 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9956   -2.1872    0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9448   -2.7970   -0.1295 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3260   -2.8660   -0.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4520   -4.1780   -0.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7929   -4.7678   -0.4048 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5182   -4.7343   -1.5993 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8280   -5.2250   -1.6451 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4240   -5.7432   -0.4913 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0542   -6.3026   -0.6103 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7007   -5.7833    0.7063 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3747   -6.4009    2.1730 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3886   -5.2962    0.7476 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3041   -0.1108    0.5240 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0782    1.1820    0.6966 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7406    1.3838    0.7221 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1883    2.6657    1.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9260    3.8403    0.7855 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3138    5.1090    0.8783 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9340    5.1460    1.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2141    3.9895    1.4176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1196    4.4062    1.5872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2589    5.7236    1.4558 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0010    6.1553    1.2326 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2291    7.5770    1.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8668    2.7544    1.4455 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4127   -0.8855   -0.4410 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2067   -2.2532    0.0573 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5996   -4.8369   -0.4747 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8821    6.0154    0.6888 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7356    8.0934    1.1156 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7918    7.7948    0.2379 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7800    7.8844    2.0387 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3138    1.8981    1.8007 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  2  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  2  0  0  0  0
  9 10  2  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  2  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
 19 28  2  0  0  0  0
 20 21  2  0  0  0  0
 20 37  1  0  0  0  0
 21 22  1  0  0  0  0
 21 38  1  0  0  0  0
 22 23  2  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  1  0  0  0  0
 24 25  2  0  0  0  0
 24 39  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 40  1  0  0  0  0
 27 41  1  0  0  0  0
 27 42  1  0  0  0  0
 28 43  1  0  0  0  0
M  END
$$$$

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2025-11-06, 884👍, 0💬