
 Otenzepad

 62 65  0  0  0  0  0  0  0  0999 V2000
    0.2806    1.9374   -1.1789 C   0  0  0  0  0
    1.5768    2.2369   -0.4311 C   0  0  0  0  0
    2.7663    2.4916   -1.2680 N   0  0  0  0  0
    3.2501    1.2953   -1.9929 C   0  0  0  0  0
    2.3851    0.8180   -3.1549 C   0  0  0  0  0
    3.9063    3.0180   -0.4461 C   0  0  0  0  0
    3.6511    4.3032    0.4076 C   0  0  0  0  0
    3.1354    5.4729   -0.4577 C   0  0  0  0  0
    2.7251    6.6586    0.4113 C   0  0  0  0  0
    3.8253    7.0374    1.3948 C   0  0  0  0  0
    4.3360    5.8158    2.1613 C   0  0  0  0  0
    4.7872    4.7028    1.2970 N   0  0  0  0  0
    6.0439    5.0148    0.5602 C   0  0  0  0  0
    7.1602    5.5529    1.4936 C   0  0  0  0  0
    7.4118    6.7661    1.4596 O   0  0  0  0  0
    7.6752    4.6783    2.4589 N   0  0  0  0  0
    8.5664    5.1379    3.4759 C   0  0  0  0  0
    9.5801    6.0652    3.1725 C   0  0  0  0  0
   10.4860    6.4951    4.1466 C   0  0  0  0  0
   10.3782    6.0278    5.4510 C   0  0  0  0  0
    9.3707    5.1228    5.7756 C   0  0  0  0  0
    8.4801    4.6614    4.7894 C   0  0  0  0  0
    7.4779    3.6660    5.2244 C   0  0  0  0  0
    6.9856    3.7358    6.3473 O   0  0  0  0  0
    7.2520    2.5575    4.4491 N   0  0  0  0  0
    7.6885    2.3130    3.1388 C   0  0  0  0  0
    7.8703    3.3027    2.1615 C   0  0  0  0  0
    8.2715    2.9997    0.8974 N   0  0  0  0  0
    8.5150    1.7063    0.5997 C   0  0  0  0  0
    8.3380    0.6701    1.4948 C   0  0  0  0  0
    7.8911    0.9789    2.7746 C   0  0  0  0  0
   -0.5784    2.1810   -0.5430 H   0  0  0  0  0
    0.1907    0.8782   -1.4267 H   0  0  0  0  0
    0.1889    2.5359   -2.0909 H   0  0  0  0  0
    1.7732    1.4496    0.3064 H   0  0  0  0  0
    1.3393    3.1433    0.1325 H   0  0  0  0  0
    3.4282    0.4632   -1.3000 H   0  0  0  0  0
    4.2228    1.5374   -2.4419 H   0  0  0  0  0
    1.9858    1.6550   -3.7357 H   0  0  0  0  0
    1.5599    0.1876   -2.8179 H   0  0  0  0  0
    2.9845    0.2008   -3.8334 H   0  0  0  0  0
    4.7259    3.2421   -1.1402 H   0  0  0  0  0
    4.2594    2.2247    0.2271 H   0  0  0  0  0
    2.8525    4.0368    1.1106 H   0  0  0  0  0
    2.2651    5.1643   -1.0479 H   0  0  0  0  0
    3.8978    5.7869   -1.1799 H   0  0  0  0  0
    2.4708    7.5178   -0.2191 H   0  0  0  0  0
    1.8175    6.3954    0.9695 H   0  0  0  0  0
    4.6489    7.5211    0.8578 H   0  0  0  0  0
    3.4366    7.7766    2.1050 H   0  0  0  0  0
    5.1180    6.1176    2.8660 H   0  0  0  0  0
    3.5274    5.4402    2.8036 H   0  0  0  0  0
    5.8810    5.7860   -0.2016 H   0  0  0  0  0
    6.3994    4.1382    0.0195 H   0  0  0  0  0
    9.7032    6.4397    2.1580 H   0  0  0  0  0
   11.2748    7.1945    3.8798 H   0  0  0  0  0
   11.0772    6.3634    6.2128 H   0  0  0  0  0
    9.2866    4.7610    6.7991 H   0  0  0  0  0
    6.8306    1.7982    4.9702 H   0  0  0  0  0
    8.8714    1.5226   -0.4103 H   0  0  0  0  0
    8.5510   -0.3538    1.2068 H   0  0  0  0  0
    7.7526    0.1773    3.4951 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  2 36  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 37  1  0  0  0
  4 38  1  0  0  0
  5 39  1  0  0  0
  5 40  1  0  0  0
  5 41  1  0  0  0
  6  7  1  0  0  0
  6 42  1  0  0  0
  6 43  1  0  0  0
  7 12  1  0  0  0
  7  8  1  0  0  0
  7 44  1  0  0  0
  8  9  1  0  0  0
  8 45  1  0  0  0
  8 46  1  0  0  0
  9 10  1  0  0  0
  9 47  1  0  0  0
  9 48  1  0  0  0
 10 11  1  0  0  0
 10 49  1  0  0  0
 10 50  1  0  0  0
 11 12  1  0  0  0
 11 51  1  0  0  0
 11 52  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 53  1  0  0  0
 13 54  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 16 27  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 55  1  0  0  0
 19 20  2  0  0  0
 19 56  1  0  0  0
 20 21  1  0  0  0
 20 57  1  0  0  0
 21 22  2  0  0  0
 21 58  1  0  0  0
 22 23  1  0  0  0
 23 25  1  0  0  0
 23 24  2  0  0  0
 25 26  1  0  0  0
 25 59  1  0  0  0
 26 27  2  0  0  0
 26 31  1  0  0  0
 27 28  1  0  0  0
 28 29  2  0  0  0
 29 30  1  0  0  0
 29 60  1  0  0  0
 30 31  2  0  0  0
 30 61  1  0  0  0
 31 62  1  0  0  0
M  END

>  <Chemical Name>
Otenzepad

>  <PubChem CID>
107867

>  <Formula>
C24H31N5O2

>  <Molecular Weight>
421.545000

>  <IUPAC Name>
11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one

>  <XlogP>
2.000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCN(CC)CC1CCCCN1CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4

>  <Isomeric SMILES>
CCN(CC)CC1CCCCN1CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4

>  <InChI Std. ID>
InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)

>  <InChI Key>
UBRKDAVQCKZSPO-UHFFFAOYSA-N

