
 CHEMBL432375

 69 73  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL432375

>  <PubChem CID>
11016093

>  <Formula>
C30H34N4O

>  <Molecular Weight>
466.629000

>  <IUPAC Name>
4-[4-[2-[3-methyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenoxy]butyl]piperidine

>  <XlogP>
6.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=NN=C(N1C2=CC=CC=C2OCCCCC3CCNCC3)C4=CC=C(C=C4)C5=CC=CC=C5

>  <Isomeric SMILES>
CC1=NN=C(N1C2=CC=CC=C2OCCCCC3CCNCC3)C4=CC=C(C=C4)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C30H34N4O/c1-23-32-33-30(27-16-14-26(15-17-27)25-10-3-2-4-11-25)34(23)28-12-5-6-13-29(28)35-22-8-7-9-24-18-20-31-21-19-24/h2-6,10-17,24,31H,7-9,18-22H2,1H3

>  <InChI Key>
BVUVRJNGHWMKAP-UHFFFAOYSA-N

