Molecule FYI-1001704

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A

Molecule Summary:

ID: FYI-1001704
SMILES: CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3

Received at FYIcenter.com on: 2022-11-15

Molecule ID: FYI-1001704 Edit

Molecule Structure SMILES String: CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1001704
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    4.4204    8.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7319    7.2405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0967    6.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9696    8.0236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042    5.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0967    4.4062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7319    4.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2676    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4204    2.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0825    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7710    0.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7972    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1351    0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4466    1.7776    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  2  0  0  0  0
  5  3  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  2  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14 12  1  0  0  0  0
 15  7  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001704-3D
FYIcenter.com

 33 35  0  0  0  0  0  0  0  0999 V2000
    1.0607   -0.0649   -0.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5164   -0.0484   -0.0096 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1809   -1.2766   -0.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5827   -2.3477   -0.2493 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7004   -1.2317   -0.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2033   -0.9240    1.1711 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0203    0.2657    1.6405 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3804    1.3762    0.8722 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1808    1.2104    0.1475 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6121    2.3557   -0.4448 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2214    3.6115   -0.3512 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4136    3.7479    0.3440 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9995    2.6404    0.9466 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1564    5.2922    0.4767 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5019    0.5214    3.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6244   -0.1755    3.5051 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0930    0.0324    4.8032 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4397    0.9321    5.6435 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3120    1.6176    5.1919 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8364    1.4080    3.8948 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6561   -1.0811   -0.0257 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7259    0.3687   -1.0298 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6530    0.5017    0.7618 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0604   -0.5395   -0.9319 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0617   -2.2250   -0.4485 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7029    2.2931   -1.0368 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7626    4.4710   -0.8349 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9355    2.7668    1.4873 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1354   -0.8865    2.8592 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9626   -0.5147    5.1587 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8031    1.0897    6.6562 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7968    2.3079    5.8553 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9387    1.9314    3.5776 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 28  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 29  1  0  0  0  0
 17 18  2  0  0  0  0
 17 30  1  0  0  0  0
 18 19  1  0  0  0  0
 18 31  1  0  0  0  0
 19 20  2  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END
$$$$

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2022-12-03, 1567👍, 0💬