Molecule FYI-1004460

A

Molecule Summary:

ID: FYI-1004460
Names:
InChIKey: IZKCVKAIVRRHDC-UHFFFAOYSA-N
SMILES: O=C2c1ccccc1NC2(c3c[nH]c4ccccc34)c5c[nH]c6ccccc56

Received at FYIcenter.com on: 2023-09-06

Molecule ID: FYI-1004460 Edit

Molecule Structure InChIKey: IZKCVKAIVRRHDC-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2c1ccccc1NC2(c3c[nH]c4ccccc34)c5c[nH]c6ccccc56

Download SDF Download SVG Structure in 2D SDF:

FYI-1004460
FYIcenter.com

 28 33  0  0  0  0  0  0  0  0999 V2000
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    4.2603    5.4364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9743    6.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5394    7.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1626    7.6403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2206    6.5943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6556    5.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0325    4.9629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7362    3.7438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1132    4.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1592    3.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1608    1.7387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3513    3.3872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6475    4.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5361    3.3872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.0447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4347    2.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  2  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  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
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 20 10  1  0  0  0  0
 21 20  2  0  0  0  0
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 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 20  1  0  0  0  0
 28 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004460-3D
FYIcenter.com

 45 50  0     0  0  0  0  0  0999 V2000
   -1.3535    1.3120   -1.7874 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5537   -0.7304    1.0978 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1861    2.4416    2.1918 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1534   -2.4635   -2.0807 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6094   -0.0851    0.1524 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2547    1.0445    0.7460 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2735   -1.1413   -0.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    0.5931   -0.8371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9689    0.2495   -0.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8611   -0.5355    0.6912 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1310    1.9015    0.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2900   -1.9200    0.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3080    1.3980    2.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2109   -1.4950   -1.8614 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7039    2.7703    0.9592 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8274   -2.7431   -0.9132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1731    0.5954   -1.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4950    2.0245   -1.3277 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8082   -2.0067    1.3862 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6262    3.7599    0.6011 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8613   -3.6521   -0.6622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3305    0.1182   -0.4151 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  2  0  0  0  0
  2  5  1  0  0  0  0
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  2 29  1  0  0  0  0
  3 13  1  0  0  0  0
  3 15  1  0  0  0  0
  3 32  1  0  0  0  0
  4 14  1  0  0  0  0
  4 16  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 13  2  0  0  0  0
  7 12  1  0  0  0  0
  7 14  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  2  0  0  0  0
 10 18  2  0  0  0  0
 11 15  1  0  0  0  0
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 12 20  2  0  0  0  0
 13 30  1  0  0  0  0
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 15 21  2  0  0  0  0
 16 22  2  0  0  0  0
 17 23  1  0  0  0  0
 17 34  1  0  0  0  0
 18 24  1  0  0  0  0
 18 35  1  0  0  0  0
 19 25  1  0  0  0  0
 19 36  1  0  0  0  0
 20 26  1  0  0  0  0
 20 37  1  0  0  0  0
 21 27  1  0  0  0  0
 21 38  1  0  0  0  0
 22 28  1  0  0  0  0
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 26 28  2  0  0  0  0
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 27 44  1  0  0  0  0
 28 45  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-10, 1915👍, 0💬