KEGG   COMPOUND: C15026Help
Entry
C15026                      Compound                               

Name
L-365260;
N-[(3R)-2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]-N'-(3-methylphenyl)urea
Formula
C24H22N4O2
Exact mass
398.1743
Mol weight
398.4571
Structure
Mol fileKCF fileDB searchJmolKegDraw
Pathway
Benzodiazepine family
Other DBs
CAS: 
118101-09-0
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        30
            1   C8y C    19.3508  -14.9896
            2   C8y C    19.3448  -16.2095
            3   C8x C    18.2830  -14.3615
            4   C2y C    20.0888  -17.0513
            5   C8x C    18.2819  -16.8420
            6   C8x C    17.2143  -14.9955
            7   N2x N    21.4710  -17.0513
            8   C8x C    17.2201  -16.2198
            9   C1y C    22.2207  -16.3486
            10  N1y N    20.7776  -14.1598
            11  C5x C    22.2148  -14.9194
            12  O5x O    23.5873  -14.0552
            13  C1a C    20.7201  -12.5429
            14  C8y C    20.0900  -18.4800
            15  C8x C    18.8782  -19.1810
            16  C8x C    18.8794  -20.5810
            17  C8x C    20.0924  -21.2800
            18  C8x C    21.3042  -20.5790
            19  C8x C    21.3030  -19.1790
            20  N1b N    23.4024  -17.0800
            21  C5a C    24.6149  -16.3800
            22  N1b N    25.8273  -17.0800
            23  C8y C    27.0397  -16.3800
            24  O5a O    24.6149  -14.9802
            25  C8x C    28.2373  -17.0715
            26  C8y C    29.4498  -16.3716
            27  C8x C    29.4499  -14.9716
            28  C8x C    28.2524  -14.2801
            29  C8x C    27.0399  -14.9800
            30  C1a C    30.6809  -17.0826
BOND        33
            1     6   8 1
            2     7   9 1
            3     1   2 2
            4     1  10 1
            5     1   3 1
            6    10  11 1
            7    11  12 2
            8    13  10 1
            9     2   4 1
            10    2   5 1
            11    3   6 2
            12    4   7 2
            13    5   8 2
            14   11   9 1
            15    4  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   14  19 1
            22    9  20 1 #Down
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   21  24 2
            27   23  25 2
            28   25  26 1
            29   26  27 2
            30   27  28 1
            31   28  29 2
            32   23  29 1
            33   26  30 1

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