Molecule FYI-1005810

Home > Molecule

A

Molecule Summary:

ID: FYI-1005810
Names:
InChIKey: HAXPHMBUFRNMSV-UHFFFAOYSA-N
SMILES: CCc2cc1ncn(C)cc1c3=CC=C(O)Cc23

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

Molecule ID: FYI-1005810 Edit

Molecule Structure InChIKey: HAXPHMBUFRNMSV-UHFFFAOYSA-N

Molecule Structure SMILES String: CCc2cc1ncn(C)cc1c3=CC=C(O)Cc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1005810
FYIcenter.com

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10 11  1  0  0  0  0
 10  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
 14 13  1  0  0  0  0
 14  8  2  0  0  0  0
 15 18  1  0  0  0  0
 15  5  2  0  0  0  0
 16 18  1  0  0  0  0
 17 16  1  0  0  0  0
 18  9  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005810-3D
FYIcenter.com

 34 36  0  0  0  0  0  0  0  0999 V2000
   -1.6745    1.1478   -2.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8014    1.6804   -0.9283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3976    3.1289   -0.7928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0190    3.3531   -0.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5252    4.5417   -0.1696 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8766    4.5438   -0.0042 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    5.6862   -0.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8905    6.9084    0.1173 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9606    7.9165    0.2761 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4905    6.9778   -0.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2512    5.8353   -0.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6965    5.6128   -0.7544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6386    6.5864   -1.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0295    6.3323   -1.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5170    5.0878   -1.4807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8242    4.7706   -1.8031 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6650    3.8940   -1.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2317    4.2055   -0.9175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0062    0.1031   -2.3889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6395    1.1823   -2.7088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2949    1.7095   -3.0612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2051    1.0511   -0.2636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8340    1.5333   -0.5962 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6233    2.4831   -0.3626 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9215    5.7588   -1.1985 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9225    7.3950    0.4836 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8627    8.6004    1.1274 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1538    8.4647   -0.6502 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1161    8.0007   -0.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3792    7.6496   -0.9269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6825    7.1910   -1.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3055    5.6115   -1.8983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7186    3.2749   -2.1621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1174    3.3187   -0.4377 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 18  2  0  0  0  0
  4  5  2  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  2  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  2  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-23, 1597👍, 0💬