
 CHEMBL333139

 47 50  0  0  0  0  0  0  0  0999 V2000
   -0.2336   -2.0695   -3.6319 C   0  0  0  0  0
    0.9067   -1.0835   -3.5199 C   0  0  0  0  0
    1.4660   -1.0428   -2.1237 C   0  0  0  0  0
    2.7625   -0.5122   -1.9689 C   0  0  0  0  0
    3.3532   -0.4292   -0.7143 C   0  0  0  0  0
    2.6444   -0.8557    0.3985 C   0  0  0  0  0
    1.3506   -1.3724    0.2557 C   0  0  0  0  0
    0.7340   -1.4922   -0.9999 C   0  0  0  0  0
   -0.5956   -2.0488   -1.1659 N   0  0  0  0  0
   -1.2070   -1.8513   -2.4916 C   0  0  0  0  0
   -1.2429   -2.7757   -0.1391 C   0  0  0  0  0
   -0.7420   -3.1138    0.9344 O   0  0  0  0  0
   -2.6222   -3.2912   -0.3480 C   0  0  0  0  0
   -2.8597   -4.6453   -0.0775 C   0  0  0  0  0
   -4.1170   -5.2041   -0.3187 C   0  0  0  0  0
   -5.1432   -4.4212   -0.8574 C   0  0  0  0  0
   -4.9252   -3.0541   -1.0484 C   0  0  0  0  0
   -3.6788   -2.4813   -0.7688 C   0  0  0  0  0
   -6.3556   -5.0701   -1.1803 N   0  0  0  0  0
   -7.3281   -4.5847   -2.0377 C   0  0  0  0  0
   -7.2694   -3.5562   -2.7002 O   0  0  0  0  0
   -8.5145   -5.4675   -2.2047 C   0  0  0  0  0
   -9.0784   -6.1485   -1.1188 C   0  0  0  0  0
  -10.2121   -6.9419   -1.3104 C   0  0  0  0  0
  -10.7816   -7.0557   -2.5797 C   0  0  0  0  0
  -10.2241   -6.3746   -3.6618 C   0  0  0  0  0
   -9.0950   -5.5764   -3.4748 C   0  0  0  0  0
   -0.7425   -1.9412   -4.5941 H   0  0  0  0  0
    0.1475   -3.0973   -3.5974 H   0  0  0  0  0
    0.5645   -0.0764   -3.7878 H   0  0  0  0  0
    1.6877   -1.3705   -4.2344 H   0  0  0  0  0
    3.3200   -0.1685   -2.8378 H   0  0  0  0  0
    4.3574   -0.0296   -0.6051 H   0  0  0  0  0
    3.0888   -0.7878    1.3882 H   0  0  0  0  0
    0.8444   -1.6551    1.1726 H   0  0  0  0  0
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   -1.6159   -0.8324   -2.5119 H   0  0  0  0  0
   -2.0560   -5.2705    0.3084 H   0  0  0  0  0
   -4.2631   -6.2623   -0.1191 H   0  0  0  0  0
   -5.7185   -2.4037   -1.4111 H   0  0  0  0  0
   -3.5380   -1.4133   -0.9117 H   0  0  0  0  0
   -6.4338   -6.0406   -0.9017 H   0  0  0  0  0
   -8.6699   -6.0413   -0.1178 H   0  0  0  0  0
  -10.6633   -7.4598   -0.4674 H   0  0  0  0  0
  -11.6701   -7.6662   -2.7241 H   0  0  0  0  0
  -10.6742   -6.4564   -4.6483 H   0  0  0  0  0
   -8.6695   -5.0358   -4.3184 H   0  0  0  0  0
  1 10  1  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  5  6  2  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  7  8  2  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
 10 36  1  0  0  0
 10 37  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 15 16  2  0  0  0
 15 39  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 40  1  0  0  0
 18 41  1  0  0  0
 19 20  1  0  0  0
 19 42  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 43  1  0  0  0
 24 25  2  0  0  0
 24 44  1  0  0  0
 25 26  1  0  0  0
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 26 27  2  0  0  0
 26 46  1  0  0  0
 27 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL333139

>  <PubChem CID>
10642000

>  <Formula>
C23H20N2O2

>  <Molecular Weight>
356.425000

>  <IUPAC Name>
N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CC2=CC=CC=C2N(C1)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CC2=CC=CC=C2N(C1)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C23H20N2O2/c26-22(18-8-2-1-3-9-18)24-20-14-12-19(13-15-20)23(27)25-16-6-10-17-7-4-5-11-21(17)25/h1-5,7-9,11-15H,6,10,16H2,(H,24,26)

>  <InChI Key>
BOWXEPIUZVMXHM-UHFFFAOYSA-N

