
 SCHEMBL5446697

 56 59  0  0  0  0  0  0  0  0999 V2000
   11.3618   -0.0178    3.7588 C   0  0  0  0  0
   10.7287    1.2691    3.4030 C   0  0  0  0  0
   10.9692    2.4049    4.0326 N   0  0  0  0  0
   10.2327    3.3635    3.4082 N   0  0  0  0  0
    9.5412    2.8507    2.4071 N   0  0  0  0  0
    9.8239    1.5204    2.3745 N   0  0  0  0  0
    9.2256    0.6930    1.3801 C   0  0  0  0  0
    9.4397   -0.6862    1.3132 C   0  0  0  0  0
    8.8671   -1.4726    0.2901 C   0  0  0  0  0
    8.0816   -0.8496   -0.6944 C   0  0  0  0  0
    7.8237    0.5193   -0.6068 C   0  0  0  0  0
    8.3899    1.2834    0.4190 C   0  0  0  0  0
    7.5977   -1.6597   -1.6892 O   0  0  0  0  0
    7.2477   -1.0106   -2.9089 C   0  0  0  0  0
    9.1165   -2.9669    0.2198 C   0  0  0  0  0
    9.9175   -3.4033    1.3222 O   0  0  0  0  0
   10.4067   -4.7367    1.1532 C   0  0  0  0  0
   11.4446   -5.0982    2.2711 C   0  0  0  0  0
   10.7798   -4.9232    3.6678 C   0  0  0  0  0
    9.6837   -5.9547    3.9362 C   0  0  0  0  0
   10.1883   -7.3174    3.7801 N   0  0  0  0  0
   10.7049   -7.5629    2.4380 C   0  0  0  0  0
   11.8363   -6.5944    2.0892 C   0  0  0  0  0
   12.7395   -4.2405    2.1962 C   0  0  0  0  0
   12.9686   -3.2796    1.1958 C   0  0  0  0  0
   14.1527   -2.5343    1.1522 C   0  0  0  0  0
   15.1427   -2.7339    2.1065 C   0  0  0  0  0
   14.9489   -3.6788    3.1058 C   0  0  0  0  0
   13.7650   -4.4212    3.1483 C   0  0  0  0  0
   11.9351   -0.4245    2.9207 H   0  0  0  0  0
   10.6172   -0.7451    4.0954 H   0  0  0  0  0
   12.0645    0.1252    4.5872 H   0  0  0  0  0
   10.0497   -1.2039    2.0406 H   0  0  0  0  0
    7.1817    1.0255   -1.3211 H   0  0  0  0  0
    8.1693    2.3503    0.4389 H   0  0  0  0  0
    6.2901   -0.4908   -2.8095 H   0  0  0  0  0
    7.1329   -1.7812   -3.6765 H   0  0  0  0  0
    8.0351   -0.3265   -3.2440 H   0  0  0  0  0
    9.6390   -3.1859   -0.7189 H   0  0  0  0  0
    8.1626   -3.5049    0.2511 H   0  0  0  0  0
   10.8675   -4.8466    0.1633 H   0  0  0  0  0
    9.5402   -5.4041    1.1749 H   0  0  0  0  0
   10.3691   -3.9119    3.7797 H   0  0  0  0  0
   11.5211   -5.0258    4.4704 H   0  0  0  0  0
    9.3317   -5.8327    4.9669 H   0  0  0  0  0
    8.8145   -5.7898    3.2903 H   0  0  0  0  0
    9.4432   -7.9826    3.9872 H   0  0  0  0  0
   11.0947   -8.5865    2.3952 H   0  0  0  0  0
    9.8964   -7.5125    1.7008 H   0  0  0  0  0
   12.6931   -6.8525    2.7250 H   0  0  0  0  0
   12.1670   -6.7757    1.0581 H   0  0  0  0  0
   12.2356   -3.0757    0.4218 H   0  0  0  0  0
   14.2983   -1.7985    0.3653 H   0  0  0  0  0
   16.0629   -2.1579    2.0691 H   0  0  0  0  0
   15.7191   -3.8458    3.8539 H   0  0  0  0  0
   13.6603   -5.1572    3.9434 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 32  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  9 10  2  0  0  0
  9 15  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL5446697

>  <PubChem CID>
58993640

>  <Formula>
C22H27N5O2

>  <Molecular Weight>
393.491000

>  <IUPAC Name>
4-[[2-methoxy-5-(5-methyltetrazol-1-yl)phenyl]methoxymethyl]-4-phenylpiperidine

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=NN=NN1C2=CC(=C(C=C2)OC)COCC3(CCNCC3)C4=CC=CC=C4

>  <Isomeric SMILES>
CC1=NN=NN1C2=CC(=C(C=C2)OC)COCC3(CCNCC3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C22H27N5O2/c1-17-24-25-26-27(17)20-8-9-21(28-2)18(14-20)15-29-16-22(10-12-23-13-11-22)19-6-4-3-5-7-19/h3-9,14,23H,10-13,15-16H2,1-2H3

>  <InChI Key>
CTRCKPCRPOVKKX-UHFFFAOYSA-N

