
 CHEMBL1771105

 67 70  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1771105

>  <PubChem CID>
54581963

>  <Formula>
C26H35N3O3

>  <Molecular Weight>
437.584000

>  <IUPAC Name>
7-methoxy-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4,5-dihydro-3H-2-benzazepin-1-one

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=CC2=C(C=C1)C(=O)N(CCC2)CCCCN3CCN(CC3)C4=CC=CC=C4OC

>  <Isomeric SMILES>
COC1=CC2=C(C=C1)C(=O)N(CCC2)CCCCN3CCN(CC3)C4=CC=CC=C4OC

>  <InChI Std. ID>
InChI=1S/C26H35N3O3/c1-31-22-11-12-23-21(20-22)8-7-15-29(26(23)30)14-6-5-13-27-16-18-28(19-17-27)24-9-3-4-10-25(24)32-2/h3-4,9-12,20H,5-8,13-19H2,1-2H3

>  <InChI Key>
OLFPBASVCZUWSQ-UHFFFAOYSA-N

