Molecule FYI-1001461

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A

Molecule Summary:

ID: FYI-1001461
SMILES: CN1CCN(CC1)C1=CC(Cl)=C(C=C1[N+]([O-])=O)C(=O)NC1=CC(=CC=C1C)C1=NC2=CC=CC=C2S1

Received at FYIcenter.com on: 2022-07-30

Molecule ID: FYI-1001461 Edit

Molecule Structure SMILES String: CN1CCN(CC1)C1=CC(Cl)=C(C=C1[N+]([O-])=O)C(=O)NC1=CC(=CC=C1C)C1=NC2=CC=CC=C2S1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001461
FYIcenter.com

 36 40  0  0  0  0  0  0  0  0999 V2000
   18.8650    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6526    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4402    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2278    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2278    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4402    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6526    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0153    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8029    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5905    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3781    4.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.5905    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8029    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.4402    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3781    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    2.2306    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001461-3D
FYIcenter.com

 60 64  0  0  0  0  0  0  0  0999 V2000
    2.0982    1.2728   -1.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0027    0.4408   -0.5751 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5412    0.9311    0.7420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6504    0.1183    1.2799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7663    0.1335    0.2995 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3286   -0.3974   -1.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1348    0.4502   -1.5241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0641   -0.0603    0.7649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2753   -0.7042    2.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5102   -0.7048    2.6793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5207   -1.4517    4.2369 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.6030   -0.0631    2.1105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4562    0.5061    0.8320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2174    0.4847    0.1734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2010    1.1392   -1.1205 N   0  3  0  0  0  0  0  0  0  0  0  0
   -4.2483    0.4105   -2.1194 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.2633    2.3761   -1.1294 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9172    0.1728    2.7675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5224    1.1716    2.3984 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3436   -0.7237    3.7384 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6036   -0.6789    4.3853 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2022-08-27, 1162👍, 0💬