
 SMR000127622

 51 54  0  0  0  0  0  0  0  0999 V2000
    3.1952   -3.4121    0.6690 C   0  0  0  0  0
    3.1234   -2.1418    1.5100 C   0  0  0  0  0
    1.8258   -1.3740    1.2628 C   0  0  0  0  0
    0.5758   -2.2437    1.4435 C   0  0  0  0  0
    0.6704   -3.5345    0.6193 C   0  0  0  0  0
    1.9697   -4.2980    0.8729 C   0  0  0  0  0
    0.3482   -2.5260    2.8564 N   0  0  0  0  0
   -0.9276   -2.7481    3.3593 C   0  0  0  0  0
   -1.9288   -2.7085    2.6480 O   0  0  0  0  0
   -0.9557   -3.0674    4.8865 C   0  0  0  0  0
   -2.1436   -2.3912    5.5804 C   0  0  0  0  0
   -2.1518   -0.9832    5.6550 C   0  0  0  0  0
   -3.1825   -0.2963    6.3010 C   0  0  0  0  0
   -4.2264   -1.0020    6.8901 C   0  0  0  0  0
   -4.2451   -2.3912    6.8212 C   0  0  0  0  0
   -3.2188   -3.0775    6.1654 C   0  0  0  0  0
   -0.7840   -4.5230    5.0897 N   0  0  0  0  0
   -1.5709   -5.4779    4.2851 C   0  0  0  0  0
   -1.6015   -6.8167    5.0470 C   0  0  0  0  0
   -1.1995   -6.3836    6.4161 C   0  0  0  0  0
   -1.2680   -7.1067    7.5969 C   0  0  0  0  0
   -0.8324   -6.4927    8.7703 C   0  0  0  0  0
   -0.3227   -5.1876    8.7395 C   0  0  0  0  0
   -0.2547   -4.4765    7.5364 C   0  0  0  0  0
   -0.7128   -5.0735    6.3730 C   0  0  0  0  0
    3.2766   -3.1415   -0.3911 H   0  0  0  0  0
    4.1017   -3.9721    0.9249 H   0  0  0  0  0
    3.9788   -1.4978    1.2759 H   0  0  0  0  0
    3.2064   -2.4004    2.5723 H   0  0  0  0  0
    1.7839   -0.5053    1.9308 H   0  0  0  0  0
    1.8398   -0.9840    0.2369 H   0  0  0  0  0
   -0.2894   -1.6725    1.0844 H   0  0  0  0  0
   -0.1833   -4.1902    0.8270 H   0  0  0  0  0
    0.6185   -3.2767   -0.4465 H   0  0  0  0  0
    1.9708   -4.6968    1.8943 H   0  0  0  0  0
    2.0252   -5.1589    0.1968 H   0  0  0  0  0
    1.1169   -2.8918    3.4068 H   0  0  0  0  0
   -0.0597   -2.5914    5.3116 H   0  0  0  0  0
   -1.3472   -0.4057    5.2031 H   0  0  0  0  0
   -3.1685    0.7894    6.3437 H   0  0  0  0  0
   -5.0258   -0.4716    7.3998 H   0  0  0  0  0
   -5.0568   -2.9486    7.2814 H   0  0  0  0  0
   -3.2732   -4.1610    6.1425 H   0  0  0  0  0
   -1.1222   -5.6134    3.2943 H   0  0  0  0  0
   -2.5951   -5.1162    4.1340 H   0  0  0  0  0
   -0.8670   -7.5193    4.6404 H   0  0  0  0  0
   -2.5991   -7.2645    5.0228 H   0  0  0  0  0
   -1.6609   -8.1177    7.6139 H   0  0  0  0  0
   -0.8879   -7.0272    9.7152 H   0  0  0  0  0
    0.0158   -4.7190    9.6601 H   0  0  0  0  0
    0.1361   -3.4654    7.5352 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6 35  1  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 17  1  0  0  0
 10 11  1  0  0  0
 10 38  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 39  1  0  0  0
 13 14  2  0  0  0
 13 40  1  0  0  0
 14 15  1  0  0  0
 14 41  1  0  0  0
 15 16  2  0  0  0
 15 42  1  0  0  0
 16 43  1  0  0  0
 17 25  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18 44  1  0  0  0
 18 45  1  0  0  0
 19 20  1  0  0  0
 19 46  1  0  0  0
 19 47  1  0  0  0
 20 25  1  0  0  0
 20 21  2  0  0  0
 21 22  1  0  0  0
 21 48  1  0  0  0
 22 23  2  0  0  0
 22 49  1  0  0  0
 23 24  1  0  0  0
 23 50  1  0  0  0
 24 25  2  0  0  0
 24 51  1  0  0  0
M  END

>  <Chemical Name>
SMR000127622

>  <PubChem CID>
3680932

>  <Formula>
C22H26N2O

>  <Molecular Weight>
334.463000

>  <IUPAC Name>
N-cyclohexyl-2-(2,3-dihydroindol-1-yl)-2-phenylacetamide

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CCC(CC1)NC(=O)C(C2=CC=CC=C2)N3CCC4=CC=CC=C43

>  <Isomeric SMILES>
C1CCC(CC1)NC(=O)C(C2=CC=CC=C2)N3CCC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C22H26N2O/c25-22(23-19-12-5-2-6-13-19)21(18-10-3-1-4-11-18)24-16-15-17-9-7-8-14-20(17)24/h1,3-4,7-11,14,19,21H,2,5-6,12-13,15-16H2,(H,23,25)

>  <InChI Key>
ADZLVMLREIHPHR-UHFFFAOYSA-N

