
 CHEMBL3361425

 59 61  0  0  0  0  0  0  0  0999 V2000
    0.5295    0.9382   -1.4910 C   0  0  0  0  0
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  1  6  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3361425

>  <PubChem CID>
101882819

>  <Formula>
C22H30N6O

>  <Molecular Weight>
394.523000

>  <IUPAC Name>
4-anilino-1-benzyl-N-[2-(diaminomethylideneamino)ethyl]piperidine-4-carboxamide

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCC1(C(=O)NCCN=C(N)N)NC2=CC=CC=C2)CC3=CC=CC=C3

>  <Isomeric SMILES>
C1CN(CCC1(C(=O)NCCN=C(N)N)NC2=CC=CC=C2)CC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C22H30N6O/c23-21(24)26-14-13-25-20(29)22(27-19-9-5-2-6-10-19)11-15-28(16-12-22)17-18-7-3-1-4-8-18/h1-10,27H,11-17H2,(H,25,29)(H4,23,24,26)

>  <InChI Key>
SCPYAGLHLAAYFP-UHFFFAOYSA-N

