
 CHEMBL333341

 67 71  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL333341

>  <PubChem CID>
10765655

>  <Formula>
C27H34N6

>  <Molecular Weight>
442.611000

>  <IUPAC Name>
N-benzyl-N-methyl-1-[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]methanamine

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(CC1CCN(CC1)CCCC2=CNC3=C2C=C(C=C3)N4C=NN=C4)CC5=CC=CC=C5

>  <Isomeric SMILES>
CN(CC1CCN(CC1)CCCC2=CNC3=C2C=C(C=C3)N4C=NN=C4)CC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C27H34N6/c1-31(18-22-6-3-2-4-7-22)19-23-11-14-32(15-12-23)13-5-8-24-17-28-27-10-9-25(16-26(24)27)33-20-29-30-21-33/h2-4,6-7,9-10,16-17,20-21,23,28H,5,8,11-15,18-19H2,1H3

>  <InChI Key>
ARJKYPLGKHVBPE-UHFFFAOYSA-N

