
 CHEMBL330713

 43 46  0  0  0  0  0  0  0  0999 V2000
    1.4276    4.5593    0.0636 C   0  0  0  0  0
    2.1670    3.3427    0.4135 N   0  0  0  0  0
    1.2375    2.2148    0.5107 C   0  0  0  0  0
    3.2277    3.1007   -0.5852 C   0  0  0  0  0
    4.1480    1.8980   -0.2982 C   0  0  0  0  0
    4.9151    1.9823    1.0166 C   0  0  0  0  0
    6.3547    2.2553    0.5900 C   0  0  0  0  0
    6.4149    1.5378   -0.7663 C   0  0  0  0  0
    5.1231    1.7945   -1.3591 O   0  0  0  0  0
    6.6890    0.0508   -0.7061 C   0  0  0  0  0
    5.8296   -0.9135   -1.2513 C   0  0  0  0  0
    6.1413   -2.2749   -1.1797 C   0  0  0  0  0
    7.3297   -2.6892   -0.5809 C   0  0  0  0  0
    8.2084   -1.7430   -0.0619 C   0  0  0  0  0
    7.8799   -0.3872   -0.1195 C   0  0  0  0  0
    8.8116    0.5226    0.3170 O   0  0  0  0  0
    8.4964    1.1470    1.5002 C   0  0  0  0  0
    9.4304    0.9747    2.5306 C   0  0  0  0  0
    9.2489    1.6018    3.7597 C   0  0  0  0  0
    8.1432    2.4206    3.9535 C   0  0  0  0  0
    7.2222    2.6076    2.9192 C   0  0  0  0  0
    7.3738    1.9686    1.6710 C   0  0  0  0  0
    2.0990    5.4244    0.0330 H   0  0  0  0  0
    0.6685    4.7804    0.8227 H   0  0  0  0  0
    0.9277    4.4740   -0.9085 H   0  0  0  0  0
    0.4239    2.4432    1.2093 H   0  0  0  0  0
    1.7356    1.3275    0.9141 H   0  0  0  0  0
    0.7944    1.9581   -0.4585 H   0  0  0  0  0
    3.8650    3.9931   -0.6543 H   0  0  0  0  0
    2.7927    2.9761   -1.5867 H   0  0  0  0  0
    3.5579    0.9754   -0.3244 H   0  0  0  0  0
    4.8416    1.0216    1.5434 H   0  0  0  0  0
    4.5218    2.7432    1.6977 H   0  0  0  0  0
    6.4270    3.3325    0.3728 H   0  0  0  0  0
    7.1674    1.9952   -1.4201 H   0  0  0  0  0
    4.9090   -0.6164   -1.7477 H   0  0  0  0  0
    5.4615   -3.0087   -1.6030 H   0  0  0  0  0
    7.5761   -3.7468   -0.5355 H   0  0  0  0  0
    9.1497   -2.0560    0.3808 H   0  0  0  0  0
   10.3024    0.3456    2.3691 H   0  0  0  0  0
    9.9720    1.4590    4.5576 H   0  0  0  0  0
    7.9990    2.9244    4.9056 H   0  0  0  0  0
    6.3797    3.2746    3.0951 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
  7 22  1  0  0  0
  7 34  1  0  0  0
  8 10  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 36  1  0  0  0
 12 13  2  0  0  0
 12 37  1  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
 14 15  2  0  0  0
 14 39  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 17 22  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
 19 20  2  0  0  0
 19 41  1  0  0  0
 20 21  1  0  0  0
 20 42  1  0  0  0
 21 22  2  0  0  0
 21 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL330713

>  <PubChem CID>
44326320

>  <Formula>
C19H21NO2

>  <Molecular Weight>
295.382000

>  <IUPAC Name>


>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(C)CC1CC2C(O1)C3=CC=CC=C3OC4=CC=CC=C24

>  <Isomeric SMILES>
CN(C)CC1C[C@@H]2[C@H](O1)C3=CC=CC=C3OC4=CC=CC=C24

>  <InChI Std. ID>
InChI=1S/C19H21NO2/c1-20(2)12-13-11-16-14-7-3-5-9-17(14)22-18-10-6-4-8-15(18)19(16)21-13/h3-10,13,16,19H,11-12H2,1-2H3/t13?,16-,19+/m0/s1

>  <InChI Key>
KUCRPWOVGMMXDP-MRJVUNAPSA-N

