
 CHEMBL161093

 76 81  0  0  0  0  0  0  0  0999 V2000
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   -1.1147   -0.0461   -1.4621 C   0  0  0  0  0
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    2.1383    1.0908   -1.0063 H   0  0  0  0  0
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   -7.9523   -2.4866   -4.4685 H   0  0  0  0  0
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   -6.3253    0.2514   -1.5964 H   0  0  0  0  0
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   -6.1746   -1.0073    2.4216 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL161093

>  <PubChem CID>
44373852

>  <Formula>
C33H40N2O

>  <Molecular Weight>
480.696000

>  <IUPAC Name>
(2S,3aS,4S,5S)-2,4-diphenyl-5-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole

>  <XlogP>
7.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC1CCCC2=CC=CC=C2)CC3CN4C(C3C5=CC=CC=C5)CC(O4)C6=CC=CC=C6

>  <Isomeric SMILES>
C1CN(CCC1CCCC2=CC=CC=C2)C[C@H]3CN4[C@H]([C@@H]3C5=CC=CC=C5)C[C@H](O4)C6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C33H40N2O/c1-4-11-26(12-5-1)13-10-14-27-19-21-34(22-20-27)24-30-25-35-31(33(30)29-17-8-3-9-18-29)23-32(36-35)28-15-6-2-7-16-28/h1-9,11-12,15-18,27,30-33H,10,13-14,19-25H2/t30-,31-,32-,33+/m0/s1

>  <InChI Key>
ATQZSLPBLOHQLC-ZWDYZTTJSA-N

