KEGG   COMPOUND: C15040Help
Entry
C15040                      Compound                               

Name
GYKI 52466;
4-(8-Methyl-9H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-5-yl)benzenamine
Formula
C17H15N3O2
Exact mass
293.1164
Mol weight
293.3199
Structure
Mol fileKCF fileDB searchJmolKegDraw
Pathway
Benzodiazepine family
Other DBs
CAS: 
102771-26-6
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        22
            1   C8y C    11.4436  -23.5206
            2   C1x C    12.6905  -22.8930
            3   C2y C    13.9665  -23.4705
            4   N2x N    14.3063  -24.8185
            5   C8y C    11.1627  -24.9013
            6   N2x N    13.4647  -25.9405
            7   C2y C    12.0636  -25.9734
            8   C1a C    15.0702  -22.5474
            9   C8y C    11.4848  -27.2552
            10  C8x C    10.3952  -22.5929
            11  C8y C     9.0675  -23.0371
            12  C8y C     8.7865  -24.4177
            13  C8x C     9.8350  -25.3455
            14  O2x O     7.8412  -22.3432
            15  C1x C     6.8023  -23.2950
            16  O2x O     7.3866  -24.5772
            17  C8x C    10.0848  -27.2552
            18  C8x C     9.3848  -28.4677
            19  C8y C    10.0848  -29.6801
            20  C8x C    11.4848  -29.6801
            21  C8x C    12.1848  -28.4677
            22  N1a N     9.3837  -30.8945
BOND        25
            1     3   4 2
            2     1   5 2
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 2
            8     3   8 1
            9     7   9 1
            10    1  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    5  13 1
            15   11  14 1
            16   14  15 1
            17   15  16 1
            18   12  16 1
            19    9  17 2
            20   17  18 1
            21   18  19 2
            22   19  20 1
            23   20  21 2
            24    9  21 1
            25   19  22 1

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