KEGG   COMPOUND: C15094Help
Entry
C15094                      Compound                               
Name
GYKI 52895;
4-(8,9-Dihydro-8-methyl-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-5-yl)benzenamine
Formula
C17H17N3O2
Exact mass
295.1321
Mol weight
295.3358
Structure
Mol fileKCF fileDB searchJmolKegDraw
Pathway
Benzodiazepine family
Other DBs
CAS: 
869360-93-0 114460-08-1
PubChem: 
NIKKAJI: 
KCF data Show

ATOM        22
            1   C8y C    17.8219  -15.1075
            2   C1x C    19.0740  -14.4903
            3   C1y C    20.3450  -15.0785
            4   N1x N    20.6736  -16.4293
            5   C8y C    17.5294  -16.4858
            6   N2x N    19.8226  -17.5441
            7   C2y C    18.4213  -17.5653
            8   C8x C    16.7812  -14.1710
            9   C8y C    15.4499  -14.6040
            10  C8y C    15.1573  -15.9823
            11  C8x C    16.1980  -16.9188
            12  O2x O    14.2294  -13.8999
            13  C1x C    13.1826  -14.8430
            14  O2x O    13.7561  -16.1300
            15  C1a C    21.4555  -14.1659
            16  C8y C    17.8307  -18.8445
            17  C8x C    16.4307  -18.8445
            18  C8x C    15.7307  -20.0570
            19  C8y C    16.4307  -21.2694
            20  C8x C    17.8307  -21.2694
            21  C8x C    18.5307  -20.0570
            22  N1a N    15.7310  -22.4813
BOND        25
            1     3   4 1
            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     1   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12    5  11 1
            13    9  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17    3  15 1
            18    7  16 1
            19   16  17 2
            20   17  18 1
            21   18  19 2
            22   19  20 1
            23   20  21 2
            24   16  21 1
            25   19  22 1

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