
 CHEMBL1934113

 60 65  0  0  0  0  0  0  0  0999 V2000
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    8.7623    6.1505    0.4086 H   0  0  0  0  0
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  1  2  1  0  0  0
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 31 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1934113

>  <PubChem CID>
10025150

>  <Formula>
C29H28N2O

>  <Molecular Weight>
420.556000

>  <IUPAC Name>
1-[3-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)carbazol-9-yl]propan-1-one

>  <XlogP>
6.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCC(=O)N1C2=C(C=C(C=C2)CN3CCC4(CC3)C=CC5=CC=CC=C45)C6=CC=CC=C61

>  <Isomeric SMILES>
CCC(=O)N1C2=C(C=C(C=C2)CN3CCC4(CC3)C=CC5=CC=CC=C45)C6=CC=CC=C61

>  <InChI Std. ID>
InChI=1S/C29H28N2O/c1-2-28(32)31-26-10-6-4-8-23(26)24-19-21(11-12-27(24)31)20-30-17-15-29(16-18-30)14-13-22-7-3-5-9-25(22)29/h3-14,19H,2,15-18,20H2,1H3

>  <InChI Key>
FYDHQFNPFFMBCH-UHFFFAOYSA-N

