
 SCHEMBL4274851

 37 40  0  0  0  0  0  0  0  0999 V2000
    2.8355   -0.6459   -0.3184 C   0  0  0  0  0
    2.1496    0.5638   -0.9197 C   0  0  0  0  0
    2.6112    1.6759   -0.0892 N   0  0  0  0  0
    4.0549    1.4133    0.1002 C   0  0  0  0  0
    4.1851   -0.1155    0.1864 C   0  0  0  0  0
    4.5052   -0.5973    1.6070 C   0  0  0  0  0
    5.6456    0.1437    2.1505 N   0  0  0  0  0
    5.4256    1.5307    2.2183 C   0  0  0  0  0
    6.0962    2.2905    3.1846 C   0  0  0  0  0
    5.9397    3.6766    3.2406 C   0  0  0  0  0
    5.1362    4.3228    2.3069 C   0  0  0  0  0
    4.5062    3.5835    1.3075 C   0  0  0  0  0
    4.6532    2.1865    1.2469 C   0  0  0  0  0
    4.8303   -2.0847    1.6429 C   0  0  0  0  0
    6.0179   -2.5844    1.0823 C   0  0  0  0  0
    6.3006   -3.9509    1.1095 C   0  0  0  0  0
    5.4000   -4.8371    1.6957 C   0  0  0  0  0
    4.2183   -4.3580    2.2573 C   0  0  0  0  0
    3.9347   -2.9907    2.2326 C   0  0  0  0  0
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    2.4611    0.7170   -1.9594 H   0  0  0  0  0
    2.1603    1.6216    0.8247 H   0  0  0  0  0
    4.5728    1.7456   -0.8113 H   0  0  0  0  0
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    6.7458    1.8049    3.9078 H   0  0  0  0  0
    6.4550    4.2505    4.0058 H   0  0  0  0  0
    5.0182    5.4025    2.3406 H   0  0  0  0  0
    3.9093    4.0976    0.5563 H   0  0  0  0  0
    6.7334   -1.9013    0.6269 H   0  0  0  0  0
    7.2251   -4.3215    0.6745 H   0  0  0  0  0
    5.6205   -5.9010    1.7166 H   0  0  0  0  0
    3.5166   -5.0502    2.7156 H   0  0  0  0  0
    3.0060   -2.6390    2.6768 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL4274851

>  <PubChem CID>
57846973

>  <Formula>
C17H18N2

>  <Molecular Weight>
250.345000

>  <IUPAC Name>
(3aR,4S,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CNC2C1C(NC3=CC=CC=C23)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CN[C@H]2[C@@H]1[C@H](NC3=CC=CC=C23)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C17H18N2/c1-2-6-12(7-3-1)16-14-10-11-18-17(14)13-8-4-5-9-15(13)19-16/h1-9,14,16-19H,10-11H2/t14-,16+,17+/m0/s1

>  <InChI Key>
MWBAPPROCDENMS-USXIJHARSA-N

