KEGG   COMPOUND: C11561
Entry
C11561                      Compound                               
Name
2-(4-Chloro-3,5-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide
Formula
C22H19ClN4O2
Exact mass
406.1197
Mol weight
406.8649
Structure
Other DBs
PubChem: 13726
ChEBI: 968
NIKKAJI: J1.679.142C
LinkDB
KCF data

ATOM        29
            1   C8y C    22.9873  -19.5609
            2   C8x C    21.7781  -20.2619
            3   C8x C    24.2024  -20.2619
            4   O2a O    22.9932  -18.1589
            5   C8y C    21.7781  -21.6639
            6   C8y C    24.2024  -21.6639
            7   C1b C    24.2082  -17.4521
            8   C8y C    22.9873  -22.3708
            9   C5a C    24.2082  -16.0501
            10  X   Cl   22.9932  -23.7785
            11  N1b N    25.4291  -15.3491
            12  O5a O    22.9932  -15.3491
            13  C1a C    20.5658  -22.3594
            14  C1a C    25.4138  -22.3608
            15  C8y C    26.6376  -16.0508
            16  C8x C    26.7025  -17.4421
            17  C8x C    27.8412  -18.1438
            18  C8x C    27.8478  -15.3486
            19  C8y C    29.0591  -17.4453
            20  N5x N    30.3887  -17.8812
            21  N4y N    31.2841  -16.7513
            22  C8y C    29.0628  -16.0460
            23  N5x N    30.3879  -15.6137
            24  C8y C    32.6117  -16.7533
            25  C8x C    33.3037  -17.9646
            26  C8x C    34.7013  -17.9664
            27  C8x C    35.4016  -16.7570
            28  C8x C    34.7045  -15.5458
            29  C8x C    33.3069  -15.5439
BOND        32
            1     1   3 2
            2    11  15 1
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6    15  16 1
            7    16  17 2
            8    17  19 1
            9    22  18 1
            10   18  15 2
            11    4   7 1
            12    5   8 1
            13    7   9 1
            14   22  19 1
            15   19  20 2
            16   20  21 1
            17   21  23 1
            18    8  10 1
            19    9  11 1
            20   22  23 2
            21    9  12 2
            22   21  24 1
            23    6   8 2
            24    5  13 1
            25    1   2 1
            26    6  14 1
            27   24  25 2
            28   25  26 1
            29   26  27 2
            30   27  28 1
            31   28  29 2
            32   29  24 1

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