
 CHEMBL366965

 45 47  0  0  0  0  0  0  0  0999 V2000
    0.8521    0.6156    0.1671 C   0  0  0  0  0
    2.3443    0.5068    0.2814 C   0  0  0  0  0
    2.9548   -0.7520    0.3908 C   0  0  0  0  0
    4.3486   -0.8593    0.4630 C   0  0  0  0  0
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    4.5369    1.5549    0.2841 C   0  0  0  0  0
    3.1466    1.6551    0.2099 C   0  0  0  0  0
    6.4941    0.2175    0.4799 O   0  0  0  0  0
    6.9353   -0.1253    1.8000 C   0  0  0  0  0
    6.8093   -1.5742    2.2485 C   0  0  0  0  0
    7.5903   -1.9620    3.3588 C   0  0  0  0  0
    7.4713   -3.2313    3.9227 C   0  0  0  0  0
    6.5480   -4.1302    3.4063 C   0  0  0  0  0
    5.7633   -3.7637    2.3130 C   0  0  0  0  0
    5.9048   -2.5054    1.6977 C   0  0  0  0  0
    5.0408   -2.1643    0.5402 C   0  0  0  0  0
    4.9824   -2.9148   -0.5848 C   0  0  0  0  0
    5.7390   -4.1763   -0.9260 C   0  0  0  0  0
    6.6516   -3.9559   -2.1481 C   0  0  0  0  0
    7.3745   -5.1704   -2.5807 N   0  0  0  0  0
    8.0603   -4.9069   -3.8502 C   0  0  0  0  0
    8.3533   -5.6060   -1.5799 C   0  0  0  0  0
    0.4977    1.5694    0.5717 H   0  0  0  0  0
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    6.4301   -5.1130    3.8543 H   0  0  0  0  0
    5.0286   -4.4741    1.9380 H   0  0  0  0  0
    4.3621   -2.5597   -1.4089 H   0  0  0  0  0
    5.0115   -4.9684   -1.1428 H   0  0  0  0  0
    6.3422   -4.5190   -0.0846 H   0  0  0  0  0
    7.3587   -3.1416   -1.9411 H   0  0  0  0  0
    6.0159   -3.6181   -2.9773 H   0  0  0  0  0
    7.3398   -4.6323   -4.6283 H   0  0  0  0  0
    8.5731   -5.8074   -4.2055 H   0  0  0  0  0
    8.7986   -4.1016   -3.7620 H   0  0  0  0  0
    7.8591   -5.9574   -0.6694 H   0  0  0  0  0
    9.0554   -4.8085   -1.3130 H   0  0  0  0  0
    8.9314   -6.4594   -1.9523 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 24  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL366965

>  <PubChem CID>
15749406

>  <Formula>
C20H23NO

>  <Molecular Weight>
293.410000

>  <IUPAC Name>
(3E)-N,N-dimethyl-3-(2-methyl-6H-benzo[c][1]benzoxepin-11-ylidene)propan-1-amine

>  <XlogP>
4.700

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=CC2=C(C=C1)OCC3=CC=CC=C3C2=CCCN(C)C

>  <Isomeric SMILES>
CC1=CC\2=C(C=C1)OCC3=CC=CC=C3/C2=C\CCN(C)C

>  <InChI Std. ID>
InChI=1S/C20H23NO/c1-15-10-11-20-19(13-15)18(9-6-12-21(2)3)17-8-5-4-7-16(17)14-22-20/h4-5,7-11,13H,6,12,14H2,1-3H3/b18-9+

>  <InChI Key>
BANMKMYNMRCVLR-GIJQJNRQSA-N

