
 CHEMBL418692

 65 68  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL418692

>  <PubChem CID>
14969546

>  <Formula>
C26H33N3O3

>  <Molecular Weight>
435.568000

>  <IUPAC Name>
1-[1-[4-(5-aminopentoxy)benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCC1N2C(=O)CCC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)OCCCCCN

>  <Isomeric SMILES>
C1CN(CCC1N2C(=O)CCC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)OCCCCCN

>  <InChI Std. ID>
InChI=1S/C26H33N3O3/c27-16-4-1-5-19-32-23-11-8-21(9-12-23)26(31)28-17-14-22(15-18-28)29-24-7-3-2-6-20(24)10-13-25(29)30/h2-3,6-9,11-12,22H,1,4-5,10,13-19,27H2

>  <InChI Key>
BNICCTVCUCXRHZ-UHFFFAOYSA-N

