
 SKF-75670

 39 41  0  0  0  0  0  0  0  0999 V2000
    1.0221    0.3664    0.1212 C   0  0  0  0  0
    2.4251   -0.0530    0.0439 N   0  0  0  0  0
    2.5110   -1.3669   -0.6123 C   0  0  0  0  0
    3.8759   -2.0398   -0.4594 C   0  0  0  0  0
    4.9390   -1.5461   -1.4130 C   0  0  0  0  0
    5.5568   -2.4856   -2.2609 C   0  0  0  0  0
    6.5881   -2.0989   -3.1030 C   0  0  0  0  0
    7.0352   -0.7863   -3.1150 C   0  0  0  0  0
    6.4426    0.1600   -2.2900 C   0  0  0  0  0
    5.3764   -0.2017   -1.4341 C   0  0  0  0  0
    4.7676    0.8886   -0.5505 C   0  0  0  0  0
    3.2144    0.9669   -0.6719 C   0  0  0  0  0
    5.3150    0.9946    0.8766 C   0  0  0  0  0
    6.1716    0.0390    1.4458 C   0  0  0  0  0
    6.6693    0.1954    2.7433 C   0  0  0  0  0
    6.3320    1.3176    3.4932 C   0  0  0  0  0
    5.4972    2.2855    2.9460 C   0  0  0  0  0
    4.9960    2.1264    1.6512 C   0  0  0  0  0
    8.0688   -0.4721   -3.9537 O   0  0  0  0  0
    7.1729   -3.0283   -3.9136 O   0  0  0  0  0
    0.9319    1.3176    0.6582 H   0  0  0  0  0
    0.4308   -0.3623    0.6875 H   0  0  0  0  0
    0.5703    0.4834   -0.8707 H   0  0  0  0  0
    2.2198   -1.3078   -1.6695 H   0  0  0  0  0
    1.7882   -2.0362   -0.1266 H   0  0  0  0  0
    4.2379   -1.9602    0.5724 H   0  0  0  0  0
    3.7249   -3.1156   -0.6234 H   0  0  0  0  0
    5.2467   -3.5277   -2.2613 H   0  0  0  0  0
    6.8025    1.1857   -2.2956 H   0  0  0  0  0
    5.0987    1.8328   -1.0143 H   0  0  0  0  0
    2.9192    1.9515   -0.2839 H   0  0  0  0  0
    2.9337    0.9804   -1.7354 H   0  0  0  0  0
    6.4703   -0.8485    0.8936 H   0  0  0  0  0
    7.3233   -0.5636    3.1650 H   0  0  0  0  0
    6.7204    1.4374    4.5004 H   0  0  0  0  0
    5.2339    3.1672    3.5249 H   0  0  0  0  0
    4.3527    2.9061    1.2494 H   0  0  0  0  0
    8.2956    0.4634   -3.8141 H   0  0  0  0  0
    7.8644   -2.5303   -4.3939 H   0  0  0  0  0
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  1 22  1  0  0  0
  1 23  1  0  0  0
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  2  3  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  4 27  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  7  8  2  0  0  0
  7 20  1  0  0  0
  8  9  1  0  0  0
  8 19  1  0  0  0
  9 10  2  0  0  0
  9 29  1  0  0  0
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 20 39  1  0  0  0
M  END

>  <Chemical Name>
SKF-75670

>  <PubChem CID>
173871

>  <Formula>
C17H19NO2

>  <Molecular Weight>
269.344000

>  <IUPAC Name>
3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)O)O

>  <Isomeric SMILES>
CN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)O)O

>  <InChI Std. ID>
InChI=1S/C17H19NO2/c1-18-8-7-13-9-16(19)17(20)10-14(13)15(11-18)12-5-3-2-4-6-12/h2-6,9-10,15,19-20H,7-8,11H2,1H3

>  <InChI Key>
LIHCKGZEDBNUJG-UHFFFAOYSA-N

