
 CHEMBL247505

 50 53  0  0  0  0  0  0  0  0999 V2000
    1.5842    0.4209    0.4729 C   0  0  0  0  0
    3.0226   -0.0857    0.4514 C   0  0  0  0  0
    3.9154    0.7541    1.3634 C   0  0  0  0  0
    4.9805   -0.2288    1.7899 C   0  0  0  0  0
    4.1842   -1.5050    1.9743 C   0  0  0  0  0
    3.1145   -1.4750    0.9588 N   0  0  0  0  0
    3.3739   -2.4630   -0.1082 C   0  0  0  0  0
    2.2095   -2.5954   -1.1038 C   0  0  0  0  0
    2.4347   -3.6551   -2.1580 C   0  0  0  0  0
    2.4240   -5.0164   -1.8209 C   0  0  0  0  0
    2.5579   -6.0113   -2.8055 C   0  0  0  0  0
    2.7022   -5.6347   -4.1568 C   0  0  0  0  0
    2.7394   -4.2716   -4.4857 C   0  0  0  0  0
    2.6087   -3.2930   -3.4977 C   0  0  0  0  0
    2.7859   -6.6313   -5.1471 C   0  0  0  0  0
    2.7345   -8.0007   -4.8302 C   0  0  0  0  0
    2.6220   -8.3506   -3.4762 C   0  0  0  0  0
    2.5326   -7.3736   -2.4788 C   0  0  0  0  0
    2.7716   -9.0315   -5.8868 C   0  0  0  0  0
    3.6964   -8.9648   -6.9434 C   0  0  0  0  0
    3.7154   -9.9333   -7.9543 C   0  0  0  0  0
    2.8086  -10.9950   -7.9262 C   0  0  0  0  0
    1.8842  -11.0820   -6.8838 C   0  0  0  0  0
    1.8669  -10.1087   -5.8784 C   0  0  0  0  0
    2.8242  -11.9870   -8.9600 C   0  0  0  0  0
    2.8356  -12.7916   -9.7979 N   0  0  0  0  0
    0.9383   -0.1664   -0.1864 H   0  0  0  0  0
    1.5410    1.4627    0.1375 H   0  0  0  0  0
    1.1573    0.3759    1.4811 H   0  0  0  0  0
    3.4212   -0.0110   -0.5691 H   0  0  0  0  0
    3.3675    1.1149    2.2428 H   0  0  0  0  0
    4.3396    1.6202    0.8461 H   0  0  0  0  0
    5.7258   -0.3518    0.9951 H   0  0  0  0  0
    5.4930    0.0837    2.7041 H   0  0  0  0  0
    4.8244   -2.3931    1.9323 H   0  0  0  0  0
    3.7085   -1.4999    2.9629 H   0  0  0  0  0
    3.5267   -3.4427    0.3633 H   0  0  0  0  0
    4.3034   -2.2251   -0.6427 H   0  0  0  0  0
    2.0350   -1.6376   -1.6071 H   0  0  0  0  0
    1.2808   -2.8330   -0.5688 H   0  0  0  0  0
    2.2831   -5.3058   -0.7808 H   0  0  0  0  0
    2.8548   -3.9584   -5.5210 H   0  0  0  0  0
    2.6223   -2.2450   -3.7891 H   0  0  0  0  0
    2.8614   -6.3290   -6.1905 H   0  0  0  0  0
    2.6010   -9.3973   -3.1791 H   0  0  0  0  0
    2.4335   -7.6889   -1.4425 H   0  0  0  0  0
    4.4227   -8.1545   -6.9844 H   0  0  0  0  0
    4.4435   -9.8494   -8.7590 H   0  0  0  0  0
    1.1671  -11.8999   -6.8460 H   0  0  0  0  0
    1.1214  -10.1904   -5.0887 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>
CHEMBL247505

>  <PubChem CID>
9997377

>  <Formula>
C24H24N2

>  <Molecular Weight>
340.470000

>  <IUPAC Name>
4-[6-[2-[(2S)-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-/m0/s1

>  <InChI Key>
AULXVGJBLMFJCV-SFHVURJKSA-N

