
 CHEMBL246679

 47 50  0  0  0  0  0  0  0  0999 V2000
   -1.1245   -2.5936    1.2556 C   0  0  0  0  0
   -2.4433   -2.0858    1.8010 C   0  0  0  0  0
   -3.2927   -2.0133    0.6101 N   0  0  0  0  0
   -2.4277   -1.4594   -0.4396 C   0  0  0  0  0
   -0.9969   -1.8945   -0.0983 C   0  0  0  0  0
   -0.3819   -2.7844   -1.1839 C   0  0  0  0  0
    1.0620   -3.1916   -0.8717 C   0  0  0  0  0
    1.6329   -4.0498   -1.9739 C   0  0  0  0  0
    1.4476   -5.4398   -1.9587 C   0  0  0  0  0
    1.9271   -6.2484   -3.0037 C   0  0  0  0  0
    2.5996   -5.6513   -4.0891 C   0  0  0  0  0
    2.7894   -4.2607   -4.0942 C   0  0  0  0  0
    2.3102   -3.4680   -3.0489 C   0  0  0  0  0
    3.0558   -6.4601   -5.1471 C   0  0  0  0  0
    2.8696   -7.8552   -5.1544 C   0  0  0  0  0
    2.2127   -8.4261   -4.0535 C   0  0  0  0  0
    1.7444   -7.6374   -2.9970 C   0  0  0  0  0
    3.3369   -8.6852   -6.2853 C   0  0  0  0  0
    4.5921   -8.4694   -6.8818 C   0  0  0  0  0
    5.0271   -9.2441   -7.9646 C   0  0  0  0  0
    4.2152  -10.2595   -8.4711 C   0  0  0  0  0
    2.9679  -10.4960   -7.8907 C   0  0  0  0  0
    2.5353   -9.7143   -6.8121 C   0  0  0  0  0
    4.6563  -11.0526   -9.5818 C   0  0  0  0  0
    5.0111  -11.6925  -10.4807 N   0  0  0  0  0
   -0.2879   -2.3554    1.9200 H   0  0  0  0  0
   -1.1645   -3.6836    1.1377 H   0  0  0  0  0
   -2.3334   -1.0901    2.2457 H   0  0  0  0  0
   -2.8640   -2.7551    2.5570 H   0  0  0  0  0
   -3.5520   -2.9639    0.3414 H   0  0  0  0  0
   -2.7587   -1.7929   -1.4287 H   0  0  0  0  0
   -2.5008   -0.3656   -0.4228 H   0  0  0  0  0
   -0.3786   -0.9947    0.0197 H   0  0  0  0  0
   -0.4070   -2.2444   -2.1398 H   0  0  0  0  0
   -1.0006   -3.6811   -1.3224 H   0  0  0  0  0
    1.1166   -3.7422    0.0751 H   0  0  0  0  0
    1.6864   -2.2991   -0.7399 H   0  0  0  0  0
    0.9139   -5.8960   -1.1269 H   0  0  0  0  0
    3.3090   -3.7799   -4.9202 H   0  0  0  0  0
    2.4620   -2.3916   -3.0861 H   0  0  0  0  0
    3.5490   -5.9840   -5.9931 H   0  0  0  0  0
    2.0606   -9.5023   -4.0005 H   0  0  0  0  0
    1.2339   -8.1215   -2.1672 H   0  0  0  0  0
    5.2545   -7.6948   -6.4996 H   0  0  0  0  0
    6.0032   -9.0450   -8.4036 H   0  0  0  0  0
    2.3198  -11.2830   -8.2710 H   0  0  0  0  0
    1.5490   -9.9094   -6.3944 H   0  0  0  0  0
  1  5  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
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  6 35  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  7 37  1  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
 10 17  1  0  0  0
 10 11  2  0  0  0
 11 14  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 39  1  0  0  0
 13 40  1  0  0  0
 14 15  2  0  0  0
 14 41  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 16 42  1  0  0  0
 17 43  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 44  1  0  0  0
 20 21  2  0  0  0
 20 45  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 22 46  1  0  0  0
 23 47  1  0  0  0
 24 25  3  0  0  0
M  END

>  <Chemical Name>
CHEMBL246679

>  <PubChem CID>
44440809

>  <Formula>
C23H22N2

>  <Molecular Weight>
326.443000

>  <IUPAC Name>
4-[6-(2-pyrrolidin-3-ylethyl)naphthalen-2-yl]benzonitrile

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CNCC1CCC2=CC3=C(C=C2)C=C(C=C3)C4=CC=C(C=C4)C#N

>  <Isomeric SMILES>
C1CNCC1CCC2=CC3=C(C=C2)C=C(C=C3)C4=CC=C(C=C4)C#N

>  <InChI Std. ID>
InChI=1S/C23H22N2/c24-15-18-4-6-20(7-5-18)22-10-9-21-13-17(3-8-23(21)14-22)1-2-19-11-12-25-16-19/h3-10,13-14,19,25H,1-2,11-12,16H2

>  <InChI Key>
ASDHDZRREGFVSE-UHFFFAOYSA-N

