
 CHEMBL3361436

 70 73  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3361436

>  <PubChem CID>
118724995

>  <Formula>
C29H35N5O

>  <Molecular Weight>
469.633000

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

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC1(CC2=CC=C(C=C2)C3=CC=CC=C3)CNC(=O)CN=C(N)N)CC4=CC=CC=C4

>  <Isomeric SMILES>
C1CN(CCC1(CC2=CC=C(C=C2)C3=CC=CC=C3)CNC(=O)CN=C(N)N)CC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C29H35N5O/c30-28(31)32-20-27(35)33-22-29(15-17-34(18-16-29)21-24-7-3-1-4-8-24)19-23-11-13-26(14-12-23)25-9-5-2-6-10-25/h1-14H,15-22H2,(H,33,35)(H4,30,31,32)

>  <InChI Key>
JEMOABHCELGQSD-UHFFFAOYSA-N

