Molecule Editor

Molecule ID: FYI-1004459 Edit

Molecule Structure InChIKey: BSOAGODEMKWJIG-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2Nc1ccccc1C2(c3c[nH]c4ccccc34)c5c[nH]c6ccccc56

Download SDF Download SVG Structure in 2D SDF:

FYI-1004459
FYIcenter.com

 28 33  0  0  0  0  0  0  0  0999 V2000
    4.9145    9.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2956    9.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2405    8.6540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8041    7.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4229    7.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4780    8.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2753    5.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5694    5.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5102    6.0882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0524    4.9071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7625    5.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3261    6.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9449    7.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4364    4.7257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8176    4.4321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5236    3.2092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9049    3.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7929    2.5809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2366    4.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5529    4.5663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4436    3.5468    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6745    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0400    0.9985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0416    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6776    0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3121    1.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3914    2.7508    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  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  2  0  0  0  0
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 18 10  1  0  0  0  0
 19 18  2  0  0  0  0
 20 10  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 23  1  0  0  0  0
 28 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004459-3D
FYIcenter.com

 45 50  0     0  0  0  0  0  0999 V2000
   -0.0864   -1.6330   -2.5953 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1859   -1.9229   -1.5961 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6832    2.9159   -1.8686 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -2.1681    1.9721 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6439   -0.5147   -0.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9687   -0.6376    0.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5240    0.9697   -0.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4962   -1.1352    0.3516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8874   -1.4142   -1.6976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8220   -1.4712   -0.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0773    1.9889    0.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8743   -1.2029   -0.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3859   -1.7415    1.5895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4151   -0.0759    1.4723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0366    3.1932   -0.6852 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5578   -1.8526    1.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1073   -1.7743   -0.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7087    1.9923    1.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -0.7683   -1.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7132   -0.3675    1.9055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5517   -1.2094    1.1556 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4512    4.4054   -0.1844 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9362   -2.0902    0.9652 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6353   -1.6501   -0.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7073   -1.8182   -0.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
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M  END
$$$$