
 CHEMBL8779

 49 52  0  0  0  0  0  0  0  0999 V2000
   -1.0437   -1.3296    1.5605 C   0  0  0  0  0
    0.1079   -1.2603    2.3395 C   0  0  0  0  0
    1.2960   -0.7685    1.7934 C   0  0  0  0  0
    1.3500   -0.3350    0.4586 C   0  0  0  0  0
    0.1794   -0.4222   -0.3147 C   0  0  0  0  0
   -1.0083   -0.9112    0.2333 C   0  0  0  0  0
    2.6332    0.1808   -0.1937 C   0  0  0  0  0
    3.5513    1.0203    0.7246 C   0  0  0  0  0
    2.8751    2.3127    1.1865 C   0  0  0  0  0
    3.7325    3.0823    2.0652 N   0  0  0  0  0
    4.6603    3.9799    1.5916 C   0  0  0  0  0
    4.8320    4.1856    0.3941 O   0  0  0  0  0
    5.4160    4.6796    2.6076 C   0  0  0  0  0
    5.4264    4.6034    3.9909 C   0  0  0  0  0
    6.3627    5.5531    4.4888 C   0  0  0  0  0
    6.7861    5.9282    5.7784 C   0  0  0  0  0
    7.7476    6.9361    5.9165 C   0  0  0  0  0
    8.2850    7.5639    4.7946 C   0  0  0  0  0
    7.8814    7.2050    3.5047 C   0  0  0  0  0
    6.9188    6.1960    3.3862 C   0  0  0  0  0
    6.3404    5.6454    2.2683 N   0  0  0  0  0
    3.4250   -0.9385   -0.8673 C   0  0  0  0  0
    3.7165   -0.8583   -2.2390 C   0  0  0  0  0
    4.4362   -1.8710   -2.8768 C   0  0  0  0  0
    4.8750   -2.9776   -2.1542 C   0  0  0  0  0
    4.6007   -3.0693   -0.7922 C   0  0  0  0  0
    3.8858   -2.0551   -0.1516 C   0  0  0  0  0
   -1.9657   -1.7185    1.9844 H   0  0  0  0  0
    0.0849   -1.5989    3.3722 H   0  0  0  0  0
    2.1796   -0.7455    2.4252 H   0  0  0  0  0
    0.1882   -0.1164   -1.3591 H   0  0  0  0  0
   -1.9032   -0.9737   -0.3804 H   0  0  0  0  0
    2.3098    0.8711   -0.9877 H   0  0  0  0  0
    4.4671    1.2828    0.1767 H   0  0  0  0  0
    3.8889    0.4432    1.5942 H   0  0  0  0  0
    1.9615    2.1060    1.7515 H   0  0  0  0  0
    2.6057    2.9307    0.3224 H   0  0  0  0  0
    3.6496    2.9388    3.0597 H   0  0  0  0  0
    4.8252    3.9451    4.6024 H   0  0  0  0  0
    6.3716    5.4456    6.6583 H   0  0  0  0  0
    8.0765    7.2315    6.9099 H   0  0  0  0  0
    9.0301    8.3460    4.9228 H   0  0  0  0  0
    8.3017    7.6957    2.6328 H   0  0  0  0  0
    6.5435    5.9103    1.3132 H   0  0  0  0  0
    3.3854   -0.0031   -2.8242 H   0  0  0  0  0
    4.6532   -1.7956   -3.9391 H   0  0  0  0  0
    5.4305   -3.7678   -2.6517 H   0  0  0  0  0
    4.9404   -3.9327   -0.2263 H   0  0  0  0  0
    3.6848   -2.1533    0.9116 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3  4  2  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 31  1  0  0  0
  6 32  1  0  0  0
  7 22  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  8 35  1  0  0  0
  9 10  1  0  0  0
  9 36  1  0  0  0
  9 37  1  0  0  0
 10 11  1  0  0  0
 10 38  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 21  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 39  1  0  0  0
 15 20  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 40  1  0  0  0
 17 18  2  0  0  0
 17 41  1  0  0  0
 18 19  1  0  0  0
 18 42  1  0  0  0
 19 20  2  0  0  0
 19 43  1  0  0  0
 20 21  1  0  0  0
 21 44  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 45  1  0  0  0
 24 25  2  0  0  0
 24 46  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 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL8779

>  <PubChem CID>
44265912

>  <Formula>
C24H22N2O

>  <Molecular Weight>
354.453000

>  <IUPAC Name>
N-(3,3-diphenylpropyl)-1H-indole-2-carboxamide

>  <XlogP>
5.800

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1=CC=C(C=C1)C(CCNC(=O)C2=CC3=CC=CC=C3N2)C4=CC=CC=C4

>  <Isomeric SMILES>
C1=CC=C(C=C1)C(CCNC(=O)C2=CC3=CC=CC=C3N2)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C24H22N2O/c27-24(23-17-20-13-7-8-14-22(20)26-23)25-16-15-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,17,21,26H,15-16H2,(H,25,27)

>  <InChI Key>
BOZXJINSZFIVDN-UHFFFAOYSA-N

