
 CHEMBL395190

 50 53  0  0  0  0  0  0  0  0999 V2000
    1.2726    0.1194    0.5791 C   0  0  0  0  0
    2.4472    0.1660   -0.3917 C   0  0  0  0  0
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    2.2529   -2.7566   -1.2982 C   0  0  0  0  0
    2.3950   -3.8409   -2.3452 C   0  0  0  0  0
    2.2519   -5.1929   -1.9988 C   0  0  0  0  0
    2.3613   -6.2109   -2.9656 C   0  0  0  0  0
    2.6118   -5.8673   -4.3083 C   0  0  0  0  0
    2.7490   -4.5139   -4.6516 C   0  0  0  0  0
    2.6386   -3.5131   -3.6833 C   0  0  0  0  0
    2.7184   -6.8856   -5.2765 C   0  0  0  0  0
    2.6058   -8.2515   -4.9510 C   0  0  0  0  0
    2.3578   -8.5642   -3.6044 C   0  0  0  0  0
    2.2292   -7.5649   -2.6302 C   0  0  0  0  0
    2.7523   -9.3085   -5.9839 C   0  0  0  0  0
    2.0191  -10.5087   -5.9235 C   0  0  0  0  0
    2.1649  -11.5094   -6.8947 C   0  0  0  0  0
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    3.7777  -10.1459   -8.0505 C   0  0  0  0  0
    3.6372   -9.1559   -7.0690 C   0  0  0  0  0
    3.1907  -12.3462   -8.9630 C   0  0  0  0  0
    3.3116  -13.1684   -9.7726 N   0  0  0  0  0
    0.7351   -0.8316    0.5064 H   0  0  0  0  0
    0.5622    0.9241    0.3615 H   0  0  0  0  0
    1.6041    0.2378    1.6171 H   0  0  0  0  0
    2.0702    0.0605   -1.4171 H   0  0  0  0  0
    3.1099    1.9440    0.6931 H   0  0  0  0  0
    2.8255    2.2266   -1.0353 H   0  0  0  0  0
    4.7979    0.9878   -1.6506 H   0  0  0  0  0
    5.3384    1.8475   -0.1909 H   0  0  0  0  0
    5.5963   -0.8072   -0.2000 H   0  0  0  0  0
    4.8618   -0.0564    1.2146 H   0  0  0  0  0
    4.3438   -2.6153   -0.8547 H   0  0  0  0  0
    3.8263   -1.4560   -2.0734 H   0  0  0  0  0
    1.4063   -2.1252   -1.5922 H   0  0  0  0  0
    1.9828   -3.2050   -0.3335 H   0  0  0  0  0
    2.0510   -5.4593   -0.9624 H   0  0  0  0  0
    2.9438   -4.2256   -5.6822 H   0  0  0  0  0
    2.7398   -2.4739   -3.9877 H   0  0  0  0  0
    2.8855   -6.5944   -6.3119 H   0  0  0  0  0
    2.2749   -9.6000   -3.2824 H   0  0  0  0  0
    2.0336   -7.8586   -1.6010 H   0  0  0  0  0
    1.3075  -10.6801   -5.1177 H   0  0  0  0  0
    1.5832  -12.4253   -6.8068 H   0  0  0  0  0
    4.4687   -9.9830   -8.8757 H   0  0  0  0  0
    4.2474   -8.2591   -7.1607 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
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 11 12  2  0  0  0
 12 15  1  0  0  0
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 15 16  2  0  0  0
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 19 20  2  0  0  0
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 20 21  1  0  0  0
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 25 26  3  0  0  0
M  END

>  <Chemical Name>
CHEMBL395190

>  <PubChem CID>
10088634

>  <Formula>
C24H24N2

>  <Molecular Weight>
340.470000

>  <IUPAC Name>
4-[6-[2-(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>
CC1CCCN1CCC2=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

>  <InChI Key>
AULXVGJBLMFJCV-UHFFFAOYSA-N

