Molecule FYI-1005797

Home > Molecule

A

Molecule Summary:

ID: FYI-1005797
Names:
InChIKey: DMULVCHRPCFFGV-UHFFFAOYSA-N
SMILES: CN(C)CCc1c[nH]c2ccccc12

Received at FYIcenter.com on: 2023-11-16

Molecule ID: FYI-1005797 Edit

Molecule Structure InChIKey: DMULVCHRPCFFGV-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)CCc1c[nH]c2ccccc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1005797
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    7.0655    4.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    4.7552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    6.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    4.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    4.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    4.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    4.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2674    1.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2041    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5736    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    2.6629    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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  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
 14  6  1  0  0  0  0
 14  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005797-3D
FYIcenter.com

 30 31  0     0  0  0  0  0  0999 V2000
   -3.7053    0.0706   -0.0401 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7712   -2.0043   -0.1341 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4353   -0.5173    0.7821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0460   -0.8503    0.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3469   -0.2847   -0.4367 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0205    0.0694    0.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1491   -0.6804   -0.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4465   -2.1169    0.1925 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1345    1.4720    0.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3909   -0.0953   -0.4075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5342    0.3292   -1.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6953    1.2393    0.8408 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3704    2.0711    0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4799    1.2975   -0.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8531   -1.3231    1.4003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3878    0.3679    1.4256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3709   -1.2039   -1.0366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9091    0.4957   -1.0747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0251   -3.0885    0.2421 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3839   -2.7801   -0.3440 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2795    2.0903    0.5320 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2552   -0.6967   -0.6686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5623   -0.5515   -1.8699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1677    1.1803   -1.8039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5699    0.5326   -0.9242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7170    1.6070    0.9977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1053    2.0685    0.4335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3332    0.9901    1.8430 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4640    3.1526    0.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4302    1.7837   -0.5367 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  2  0  0  0  0
  8 19  1  0  0  0  0
  9 13  1  0  0  0  0
  9 21  1  0  0  0  0
 10 14  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  2  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-23, 3084👍, 0💬