
 Skf-77434

 43 45  0  0  0  0  0  0  0  0999 V2000
    1.2968    0.2856   -3.2326 C   0  0  0  0  0
    1.9760    0.4137   -2.0840 C   0  0  0  0  0
    3.2983    1.1160   -1.9587 C   0  0  0  0  0
    4.3535    0.2533   -1.3927 N   0  0  0  0  0
    4.6443   -0.8813   -2.2918 C   0  0  0  0  0
    5.5840   -1.9379   -1.6979 C   0  0  0  0  0
    7.0355   -1.5771   -1.8800 C   0  0  0  0  0
    7.8352   -2.3778   -2.7150 C   0  0  0  0  0
    9.1632   -2.0472   -2.9275 C   0  0  0  0  0
    9.7197   -0.9298   -2.3211 C   0  0  0  0  0
    8.9483   -0.1275   -1.4868 C   0  0  0  0  0
    7.5915   -0.4415   -1.2557 C   0  0  0  0  0
    6.7598    0.4620   -0.3420 C   0  0  0  0  0
    5.5538    1.0841   -1.1212 C   0  0  0  0  0
    6.4919   -0.1195    1.0518 C   0  0  0  0  0
    7.5547   -0.6695    1.7943 C   0  0  0  0  0
    7.3573   -1.1750    3.0831 C   0  0  0  0  0
    6.0937   -1.1329    3.6614 C   0  0  0  0  0
    5.0317   -0.5808    2.9545 C   0  0  0  0  0
    5.2310   -0.0721    1.6669 C   0  0  0  0  0
   11.0355   -0.6569   -2.5772 O   0  0  0  0  0
    9.9215   -2.8284   -3.7509 O   0  0  0  0  0
    0.3498   -0.2441   -3.2631 H   0  0  0  0  0
    1.6766    0.6907   -4.1663 H   0  0  0  0  0
    1.5648   -0.0150   -1.1722 H   0  0  0  0  0
    3.1257    1.9627   -1.2830 H   0  0  0  0  0
    3.6138    1.5364   -2.9210 H   0  0  0  0  0
    5.0162   -0.5273   -3.2621 H   0  0  0  0  0
    3.7093   -1.4170   -2.4914 H   0  0  0  0  0
    5.3644   -2.1298   -0.6412 H   0  0  0  0  0
    5.3836   -2.8905   -2.2066 H   0  0  0  0  0
    7.4254   -3.2554   -3.2076 H   0  0  0  0  0
    9.3883    0.7454   -1.0121 H   0  0  0  0  0
    7.3903    1.3397   -0.1239 H   0  0  0  0  0
    5.2262    1.9452   -0.5203 H   0  0  0  0  0
    5.9255    1.5050   -2.0668 H   0  0  0  0  0
    8.5570   -0.7153    1.3740 H   0  0  0  0  0
    8.1925   -1.6021    3.6311 H   0  0  0  0  0
    5.9364   -1.5289    4.6609 H   0  0  0  0  0
    4.0410   -0.5434    3.4008 H   0  0  0  0  0
    4.3717    0.3541    1.1580 H   0  0  0  0  0
   11.2791    0.1469   -2.0855 H   0  0  0  0  0
   10.8026   -2.4060   -3.7445 H   0  0  0  0  0
  1  2  2  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4 14  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  5 29  1  0  0  0
  6  7  1  0  0  0
  6 30  1  0  0  0
  6 31  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  9 10  2  0  0  0
  9 22  1  0  0  0
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 22 43  1  0  0  0
M  END

>  <Chemical Name>
Skf-77434

>  <PubChem CID>
1241

>  <Formula>
C19H21NO2

>  <Molecular Weight>
295.382000

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

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C=CCN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)O)O

>  <Isomeric SMILES>
C=CCN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)O)O

>  <InChI Std. ID>
InChI=1S/C19H21NO2/c1-2-9-20-10-8-15-11-18(21)19(22)12-16(15)17(13-20)14-6-4-3-5-7-14/h2-7,11-12,17,21-22H,1,8-10,13H2

>  <InChI Key>
QBUVZVXIRYFENV-UHFFFAOYSA-N

