
 CHEMBL248155

 50 53  0  0  0  0  0  0  0  0999 V2000
    2.2678   -0.7795    1.5912 C   0  0  0  0  0
    1.0922   -1.6227    1.1099 C   0  0  0  0  0
   -0.1306   -1.4560    2.0142 C   0  0  0  0  0
   -1.2934   -1.5163    1.0493 C   0  0  0  0  0
   -0.7366   -0.7938   -0.1597 C   0  0  0  0  0
    0.6780   -1.2007   -0.2508 N   0  0  0  0  0
    0.8491   -2.2767   -1.2475 C   0  0  0  0  0
    2.3255   -2.6011   -1.5334 C   0  0  0  0  0
    2.4676   -3.6956   -2.5656 C   0  0  0  0  0
    2.4011   -5.0438   -2.1842 C   0  0  0  0  0
    2.5229   -6.0751   -3.1318 C   0  0  0  0  0
    2.7206   -5.7497   -4.4887 C   0  0  0  0  0
    2.7760   -4.3983   -4.8656 C   0  0  0  0  0
    2.6456   -3.3821   -3.9157 C   0  0  0  0  0
    2.8582   -6.7853   -5.4337 C   0  0  0  0  0
    2.7854   -8.1446   -5.0739 C   0  0  0  0  0
    2.5738   -8.4382   -3.7173 C   0  0  0  0  0
    2.4518   -7.4238   -2.7604 C   0  0  0  0  0
    2.9247   -9.2198   -6.0837 C   0  0  0  0  0
    3.6125  -10.4131   -5.7943 C   0  0  0  0  0
    3.7416  -11.4336   -6.7455 C   0  0  0  0  0
    3.1918  -11.2788   -8.0187 C   0  0  0  0  0
    2.5098  -10.1024   -8.3317 C   0  0  0  0  0
    2.3746   -9.0907   -7.3724 C   0  0  0  0  0
    3.3266  -12.3185   -8.9963 C   0  0  0  0  0
    3.4351  -13.1603   -9.7880 N   0  0  0  0  0
    3.1393   -0.9085    0.9409 H   0  0  0  0  0
    2.5599   -1.0716    2.6055 H   0  0  0  0  0
    2.0179    0.2875    1.6088 H   0  0  0  0  0
    1.3835   -2.6806    1.1311 H   0  0  0  0  0
   -0.1240   -0.4861    2.5265 H   0  0  0  0  0
   -0.1930   -2.2415    2.7740 H   0  0  0  0  0
   -1.5341   -2.5573    0.8033 H   0  0  0  0  0
   -2.1909   -1.0369    1.4501 H   0  0  0  0  0
   -1.3200   -0.9889   -1.0660 H   0  0  0  0  0
   -0.7682    0.2894    0.0126 H   0  0  0  0  0
    0.3961   -1.9533   -2.1946 H   0  0  0  0  0
    0.3098   -3.1821   -0.9382 H   0  0  0  0  0
    2.8479   -2.9177   -0.6229 H   0  0  0  0  0
    2.8462   -1.6993   -1.8805 H   0  0  0  0  0
    2.2547   -5.2925   -1.1345 H   0  0  0  0  0
    2.9193   -4.1241   -5.9085 H   0  0  0  0  0
    2.6881   -2.3440   -4.2386 H   0  0  0  0  0
    3.0391   -6.5170   -6.4731 H   0  0  0  0  0
    2.4885   -9.4698   -3.3819 H   0  0  0  0  0
    2.2944   -7.7001   -1.7200 H   0  0  0  0  0
    4.0719  -10.5600   -4.8181 H   0  0  0  0  0
    4.2779  -12.3435   -6.4811 H   0  0  0  0  0
    2.0733   -9.9620   -9.3189 H   0  0  0  0  0
    1.8181   -8.1957   -7.6452 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  6  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  8 40  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 41  1  0  0  0
 11 18  1  0  0  0
 11 12  2  0  0  0
 12 15  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 42  1  0  0  0
 14 43  1  0  0  0
 15 16  2  0  0  0
 15 44  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 45  1  0  0  0
 18 46  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 47  1  0  0  0
 21 22  2  0  0  0
 21 48  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 49  1  0  0  0
 24 50  1  0  0  0
 25 26  3  0  0  0
M  END

>  <Chemical Name>
CHEMBL248155

>  <PubChem CID>
10042900

>  <Formula>
C24H24N2

>  <Molecular Weight>
340.470000

>  <IUPAC Name>
4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]benzonitrile

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1CCCN1CCC2=CC3=C(C=C2)C=C(C=C3)C4=CC=C(C=C4)C#N

>  <Isomeric SMILES>
C[C@@H]1CCCN1CCC2=CC3=C(C=C2)C=C(C=C3)C4=CC=C(C=C4)C#N

>  <InChI Std. ID>
InChI=1S/C24H24N2/c1-18-3-2-13-26(18)14-12-19-4-9-24-16-23(11-10-22(24)15-19)21-7-5-20(17-25)6-8-21/h4-11,15-16,18H,2-3,12-14H2,1H3/t18-/m1/s1

>  <InChI Key>
AULXVGJBLMFJCV-GOSISDBHSA-N

