
 R-L3

 50 54  0  0  0  0  0  0  0  0999 V2000
    0.7885    1.2718    0.7713 C   0  0  0  0  0
    2.1952    0.8960    0.8044 N   0  0  0  0  0
    3.1438    1.7025    0.0977 C   0  0  0  0  0
    2.7299    2.4055   -1.0489 C   0  0  0  0  0
    3.6354    3.1407   -1.8207 C   0  0  0  0  0
    4.9772    3.1898   -1.4641 C   0  0  0  0  0
    5.4067    2.5351   -0.3131 C   0  0  0  0  0
    4.4914    1.8238    0.4845 C   0  0  0  0  0
    4.9800    1.2846    1.7840 C   0  0  0  0  0
    4.7573    0.0777    2.1864 N   0  0  0  0  0
    3.9690   -0.8060    1.3142 C   0  0  0  0  0
    2.5059   -0.3406    1.3908 C   0  0  0  0  0
    1.6283   -1.0532    1.8935 O   0  0  0  0  0
    4.0957   -2.2557    1.8174 C   0  0  0  0  0
    5.4806   -2.8225    1.6679 C   0  0  0  0  0
    5.9985   -3.4584    0.5555 C   0  0  0  0  0
    7.2881   -3.8264    0.8324 N   0  0  0  0  0
    7.6309   -3.4460    2.1085 C   0  0  0  0  0
    8.8315   -3.6095    2.8110 C   0  0  0  0  0
    8.8905   -3.1164    4.1186 C   0  0  0  0  0
    7.7914   -2.4886    4.6990 C   0  0  0  0  0
    6.5997   -2.3366    3.9823 C   0  0  0  0  0
    6.5139   -2.8195    2.6605 C   0  0  0  0  0
    5.7767    2.1683    2.6906 C   0  0  0  0  0
    6.7755    1.5928    3.4882 C   0  0  0  0  0
    7.5289    2.3840    4.3588 C   0  0  0  0  0
    7.2911    3.7561    4.4391 C   0  0  0  0  0
    6.2921    4.3343    3.6568 C   0  0  0  0  0
    5.5346    3.5404    2.7964 C   0  0  0  0  0
    4.5583    4.1326    2.0934 F   0  0  0  0  0
    0.6815    2.3608    0.8046 H   0  0  0  0  0
    0.2554    0.8650    1.6370 H   0  0  0  0  0
    0.3301    0.8669   -0.1362 H   0  0  0  0  0
    1.7005    2.3615   -1.3948 H   0  0  0  0  0
    3.2901    3.6613   -2.7110 H   0  0  0  0  0
    5.6846    3.7498   -2.0705 H   0  0  0  0  0
    6.4556    2.5974   -0.0317 H   0  0  0  0  0
    4.3136   -0.7785    0.2722 H   0  0  0  0  0
    3.4004   -2.8982    1.2598 H   0  0  0  0  0
    3.7894   -2.3216    2.8697 H   0  0  0  0  0
    5.5573   -3.6823   -0.4063 H   0  0  0  0  0
    7.9044   -4.3126    0.1970 H   0  0  0  0  0
    9.6886   -4.1012    2.3635 H   0  0  0  0  0
    9.8084   -3.2277    4.6910 H   0  0  0  0  0
    7.8547   -2.1122    5.7165 H   0  0  0  0  0
    5.7472   -1.8378    4.4355 H   0  0  0  0  0
    6.9704    0.5238    3.4322 H   0  0  0  0  0
    8.2973    1.9253    4.9762 H   0  0  0  0  0
    7.8764    4.3713    5.1177 H   0  0  0  0  0
    6.0884    5.3993    3.7187 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  5  6  2  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  7  8  2  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 24  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 11 38  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 14 39  1  0  0  0
 14 40  1  0  0  0
 15 23  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 41  1  0  0  0
 17 18  1  0  0  0
 17 42  1  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 43  1  0  0  0
 20 21  2  0  0  0
 20 44  1  0  0  0
 21 22  1  0  0  0
 21 45  1  0  0  0
 22 23  2  0  0  0
 22 46  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 47  1  0  0  0
 26 27  2  0  0  0
 26 48  1  0  0  0
 27 28  1  0  0  0
 27 49  1  0  0  0
 28 29  2  0  0  0
 28 50  1  0  0  0
 29 30  1  0  0  0
M  END

>  <Chemical Name>
R-L3

>  <PubChem CID>
656755

>  <Formula>
C25H20FN3O

>  <Molecular Weight>
397.453000

>  <IUPAC Name>
(3R)-5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1-methyl-3H-1,4-benzodiazepin-2-one

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1C2=CC=CC=C2C(=NC(C1=O)CC3=CNC4=CC=CC=C43)C5=CC=CC=C5F

>  <Isomeric SMILES>
CN1C2=CC=CC=C2C(=N[C@@H](C1=O)CC3=CNC4=CC=CC=C43)C5=CC=CC=C5F

>  <InChI Std. ID>
InChI=1S/C25H20FN3O/c1-29-23-13-7-4-10-19(23)24(18-9-2-5-11-20(18)26)28-22(25(29)30)14-16-15-27-21-12-6-3-8-17(16)21/h2-13,15,22,27H,14H2,1H3/t22-/m1/s1

>  <InChI Key>
CGBANSGENFERAT-JOCHJYFZSA-N

