
 SCHEMBL6933222

 70 73  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL6933222

>  <PubChem CID>
9868460

>  <Formula>
C27H37N3O3

>  <Molecular Weight>
451.611000

>  <IUPAC Name>
N-(2-methoxyphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexanecarboxamide

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=C3OC)C(=O)C4CCCCC4

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=C3OC)C(=O)C4CCCCC4

>  <InChI Std. ID>
InChI=1S/C27H37N3O3/c1-32-25-14-8-6-12-23(25)29-19-16-28(17-20-29)18-21-30(24-13-7-9-15-26(24)33-2)27(31)22-10-4-3-5-11-22/h6-9,12-15,22H,3-5,10-11,16-21H2,1-2H3

>  <InChI Key>
QQLBAAQRZXVWPZ-UHFFFAOYSA-N

