
 CHEMBL2207641

 80 85  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2207641

>  <PubChem CID>
71454295

>  <Formula>
C34H40N4O2

>  <Molecular Weight>
536.720000

>  <IUPAC Name>
1-(2-methoxyphenyl)-4-[[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]azulen-1-yl]methyl]piperazine

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CC3=CC(=C4C3=CC=CC=C4)CN5CCN(CC5)C6=CC=CC=C6OC

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CC3=CC(=C4C3=CC=CC=C4)CN5CCN(CC5)C6=CC=CC=C6OC

>  <InChI Std. ID>
InChI=1S/C34H40N4O2/c1-39-33-14-8-6-12-31(33)37-20-16-35(17-21-37)25-27-24-28(30-11-5-3-4-10-29(27)30)26-36-18-22-38(23-19-36)32-13-7-9-15-34(32)40-2/h3-15,24H,16-23,25-26H2,1-2H3

>  <InChI Key>
HVGNYVOUQOKFLU-UHFFFAOYSA-N

