Molecule FYI-1006735

A

Molecule Summary:

ID: FYI-1006735
Names:
InChIKey: ANTSCNMPPGJYLG-UHFFFAOYSA-N
SMILES: CNC3=Nc1ccc(Cl)cc1C(c2ccccc2)=N(=O)C3

Received at FYIcenter.com on: 2024-01-12

Molecule ID: FYI-1006735 Edit

Molecule Structure InChIKey: ANTSCNMPPGJYLG-UHFFFAOYSA-N

Molecule Structure SMILES String: CNC3=Nc1ccc(Cl)cc1C(c2ccccc2)=N(=O)C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1006735
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    9.0726    5.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8601    6.4145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6477    5.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4909    6.5032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1531    6.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2802    7.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8959    6.9764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3844    5.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4646    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2573    4.5787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417    4.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417    3.5749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5530    2.4181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1569    2.5227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3683    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9757    0.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3718    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1604    1.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7260    3.3662    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1387    2.0284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7523    4.3184    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  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
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  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
 18 13  1  0  0  0  0
 19 12  2  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 21  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006735-3D
FYIcenter.com

 35 37  0  0  0  0  0  0  0  0999 V2000
    3.0945    0.2089    1.1989 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4809    0.1112   -0.1089 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -0.3483   -1.1919 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2722   -1.0687   -1.0408 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9956   -1.5264   -2.1556 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4115   -2.8643   -2.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1708   -3.4236   -3.1352 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5210   -2.6414   -4.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4732   -3.3232   -5.4897 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1135   -1.3093   -4.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3602   -0.7382   -3.2703 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9475    0.7002   -3.3888 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9226    1.7308   -3.8783 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5088    2.8216   -4.6539 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4221    3.7950   -5.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7699    3.6664   -4.7488 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2036    2.5686   -4.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2845    1.6110   -3.5648 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7119    1.0384   -3.0259 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3111    2.2533   -3.0319 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7161    0.0552   -2.5632 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3493    0.5327    1.9316 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9027    0.9463    1.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4939   -0.7563    1.5261 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8340    0.8708   -0.3027 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1389   -3.4730   -1.2467 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4833   -4.4624   -3.0684 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3884   -0.7205   -5.1816 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4669    2.9505   -4.9352 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0729    4.6560   -5.6321 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4791    4.4250   -5.0708 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2580    2.4641   -3.7655 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6534    0.7838   -2.9641 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6572   -0.7814   -3.2646 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7350    0.5371   -2.5141 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  2  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  2  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  2  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  2  0  0  0  0
 16 31  1  0  0  0  0
 17 18  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-24, 160👍, 0💬