
 CHEMBL327478

 65 69  0  0  0  0  0  0  0  0999 V2000
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  2 36  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL327478

>  <PubChem CID>
489828

>  <Formula>
C29H33ClN2

>  <Molecular Weight>
445.047000

>  <IUPAC Name>
1-[[(3S,4S)-1-benzyl-4-(2-chlorophenyl)pyrrolidin-3-yl]methyl]-4-phenylpiperidine

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN(CCC1C2=CC=CC=C2)CC3CN(CC3C4=CC=CC=C4Cl)CC5=CC=CC=C5

>  <Isomeric SMILES>
C1CN(CCC1C2=CC=CC=C2)C[C@H]3CN(C[C@@H]3C4=CC=CC=C4Cl)CC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C29H33ClN2/c30-29-14-8-7-13-27(29)28-22-32(19-23-9-3-1-4-10-23)21-26(28)20-31-17-15-25(16-18-31)24-11-5-2-6-12-24/h1-14,25-26,28H,15-22H2/t26-,28-/m0/s1

>  <InChI Key>
AIBUJZOURZLWNC-XCZPVHLTSA-N

