
 CHEMBL309017

 50 54  0  0  0  0  0  0  0  0999 V2000
   -1.0141   -1.5470    0.1679 C   0  0  0  0  0
    0.0451   -2.4197    0.4125 C   0  0  0  0  0
    1.3599   -2.0059    0.1857 C   0  0  0  0  0
    1.6186   -0.7198   -0.3085 C   0  0  0  0  0
    0.5503    0.1580   -0.5318 C   0  0  0  0  0
   -0.7621   -0.2568   -0.2964 C   0  0  0  0  0
    3.0193   -0.2466   -0.5812 C   0  0  0  0  0
    3.2602    1.0093   -0.3912 N   0  0  0  0  0
    4.6082    1.4939   -0.6531 C   0  0  0  0  0
    5.5500    0.9621    0.4589 C   0  0  0  0  0
    6.0932    1.6804    1.3029 O   0  0  0  0  0
    5.8274   -0.3859    0.4579 N   0  0  0  0  0
    5.2977   -1.3471   -0.4174 C   0  0  0  0  0
    6.1013   -2.4635   -0.6829 C   0  0  0  0  0
    5.7012   -3.4220   -1.6163 C   0  0  0  0  0
    4.4923   -3.2770   -2.2904 C   0  0  0  0  0
    3.6590   -2.1985   -1.9956 C   0  0  0  0  0
    4.0361   -1.2520   -1.0280 C   0  0  0  0  0
    4.5313    2.9309   -0.6066 N   0  0  0  0  0
    5.3435    3.7179   -1.3919 C   0  0  0  0  0
    6.1107    3.2482   -2.2243 O   0  0  0  0  0
    5.2000    5.1986   -1.2028 C   0  0  0  0  0
    3.9120    5.6931   -0.9225 C   0  0  0  0  0
    3.6890    7.0594   -0.7971 C   0  0  0  0  0
    4.7442    7.9491   -0.9710 C   0  0  0  0  0
    6.0370    7.4908   -1.2650 C   0  0  0  0  0
    7.0732    8.4219   -1.4507 C   0  0  0  0  0
    8.3710    8.0066   -1.7382 C   0  0  0  0  0
    8.6517    6.6516   -1.8311 C   0  0  0  0  0
    7.6316    5.7132   -1.6497 C   0  0  0  0  0
    6.2942    6.0980   -1.3773 C   0  0  0  0  0
   -2.0367   -1.8690    0.3490 H   0  0  0  0  0
   -0.1523   -3.4210    0.7873 H   0  0  0  0  0
    2.1683   -2.6964    0.4101 H   0  0  0  0  0
    0.7361    1.1673   -0.8926 H   0  0  0  0  0
   -1.5869    0.4290   -0.4737 H   0  0  0  0  0
    4.9806    1.1881   -1.6376 H   0  0  0  0  0
    6.6117   -0.6279    1.0503 H   0  0  0  0  0
    7.0687   -2.5793   -0.1991 H   0  0  0  0  0
    6.3451   -4.2720   -1.8318 H   0  0  0  0  0
    4.1891   -4.0132   -3.0314 H   0  0  0  0  0
    2.7029   -2.1171   -2.5092 H   0  0  0  0  0
    4.1075    3.3106    0.2259 H   0  0  0  0  0
    3.0632    5.0190   -0.8324 H   0  0  0  0  0
    2.6909    7.4330   -0.5835 H   0  0  0  0  0
    4.5461    9.0156   -0.8822 H   0  0  0  0  0
    6.8742    9.4890   -1.3766 H   0  0  0  0  0
    9.1589    8.7402   -1.8862 H   0  0  0  0  0
    9.6617    6.3153   -2.0501 H   0  0  0  0  0
    7.9010    4.6618   -1.7277 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  3  4  2  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 35  1  0  0  0
  6 36  1  0  0  0
  7  8  2  0  0  0
  7 18  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 19  1  0  0  0
  9 37  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 38  1  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 39  1  0  0  0
 15 16  2  0  0  0
 15 40  1  0  0  0
 16 17  1  0  0  0
 16 41  1  0  0  0
 17 18  2  0  0  0
 17 42  1  0  0  0
 19 20  1  0  0  0
 19 43  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  2  0  0  0
 22 31  1  0  0  0
 23 24  1  0  0  0
 23 44  1  0  0  0
 24 25  2  0  0  0
 24 45  1  0  0  0
 25 26  1  0  0  0
 25 46  1  0  0  0
 26 27  2  0  0  0
 26 31  1  0  0  0
 27 28  1  0  0  0
 27 47  1  0  0  0
 28 29  2  0  0  0
 28 48  1  0  0  0
 29 30  1  0  0  0
 29 49  1  0  0  0
 30 31  2  0  0  0
 30 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL309017

>  <PubChem CID>
14208215

>  <Formula>
C26H19N3O2

>  <Molecular Weight>
405.457000

>  <IUPAC Name>
N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)naphthalene-1-carboxamide

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)NC(=O)C4=CC=CC5=CC=CC=C54

>  <Isomeric SMILES>
C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)NC(=O)C4=CC=CC5=CC=CC=C54

>  <InChI Std. ID>
InChI=1S/C26H19N3O2/c30-25(20-15-8-12-17-9-4-5-13-19(17)20)29-24-26(31)27-22-16-7-6-14-21(22)23(28-24)18-10-2-1-3-11-18/h1-16,24H,(H,27,31)(H,29,30)

>  <InChI Key>
BKVDDRUPSUWQNR-UHFFFAOYSA-N

