
 CHEMBL3361433

 66 69  0  0  0  0  0  0  0  0999 V2000
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 33 66  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3361433

>  <PubChem CID>
101882820

>  <Formula>
C27H33N5O

>  <Molecular Weight>
443.595000

>  <IUPAC Name>
N-[[1-benzyl-4-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]-2-(diaminomethylideneamino)acetamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC1(CC2=CC=CC3=CC=CC=C32)CNC(=O)CN=C(N)N)CC4=CC=CC=C4

>  <Isomeric SMILES>
C1CN(CCC1(CC2=CC=CC3=CC=CC=C32)CNC(=O)CN=C(N)N)CC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C27H33N5O/c28-26(29)30-18-25(33)31-20-27(17-23-11-6-10-22-9-4-5-12-24(22)23)13-15-32(16-14-27)19-21-7-2-1-3-8-21/h1-12H,13-20H2,(H,31,33)(H4,28,29,30)

>  <InChI Key>
RGNAMSRVPXMXMY-UHFFFAOYSA-N

