Molecule FYI-1007198

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A

Molecule Summary:

ID: FYI-1007198
Names:
InChIKey: RTYLNEQIHJTKCI-UHFFFAOYSA-N
SMILES: C1=Cc2cccc3CCN(C1)c23

Received at FYIcenter.com on: 2024-02-07

Molecule ID: FYI-1007198 Edit

Molecule Structure InChIKey: RTYLNEQIHJTKCI-UHFFFAOYSA-N

Molecule Structure SMILES String: C1=Cc2cccc3CCN(C1)c23

Download SDF Download SVG Structure in 2D SDF:

FYI-1007198
FYIcenter.com

 12 14  0  0  0  0  0  0  0  0999 V2000
    4.6739    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4615    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2490    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2490    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0366    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0366    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2490    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4615    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4615    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6739    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9303    4.6701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
  9  4  2  0  0  0  0
 10  9  1  0  0  0  0
 10  1  2  0  0  0  0
  3 11  1  0  0  0  0
  5 12  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007198-3D
FYIcenter.com

 23 25  0     1  0  0  0  0  0999 V2000
    1.1130    0.9702   -0.1464 N   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0047    0.1533   -0.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6617    2.3272    0.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8801    2.3262   -0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1964    0.8664   -0.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4313    0.4336    0.1209 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0362   -1.2312   -0.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4062    0.2039    0.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4549   -1.0800    0.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3576   -1.8564   -0.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1774   -1.9153    0.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3899   -1.1977    0.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1523    3.0582   -0.5217 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8902    2.5905    1.1699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1354    2.7241   -1.0697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3873    2.9026    0.6965 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7610    0.7195    1.1264 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1413    0.8562   -0.5980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3453    0.7456    0.0593 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4324   -1.5548    0.0104 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4305   -2.9357   -0.1179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2029   -3.0016    0.0521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3296   -1.7426    0.1058 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  2  5  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  8 19  1  0  0  0  0
  9 10  2  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
M  END
$$$$

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2024-02-18, 219👍, 0💬