
 CHEMBL108604

 66 70  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL108604

>  <PubChem CID>
44338864

>  <Formula>
C29H33N3O

>  <Molecular Weight>
439.603000

>  <IUPAC Name>
N-[3-(azepan-1-yl)propyl]-N-(naphthalen-1-ylmethyl)-3-phenyl-1,2-oxazol-5-amine

>  <XlogP>
6.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCCN(CC1)CCCN(CC2=CC=CC3=CC=CC=C32)C4=CC(=NO4)C5=CC=CC=C5

>  <Isomeric SMILES>
C1CCCN(CC1)CCCN(CC2=CC=CC3=CC=CC=C32)C4=CC(=NO4)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C29H33N3O/c1-2-9-19-31(18-8-1)20-11-21-32(23-26-16-10-15-24-12-6-7-17-27(24)26)29-22-28(30-33-29)25-13-4-3-5-14-25/h3-7,10,12-17,22H,1-2,8-9,11,18-21,23H2

>  <InChI Key>
BZEDPXCOJQWJKA-UHFFFAOYSA-N

