
 SCHEMBL565136

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M  END

>  <Chemical Name>
SCHEMBL565136

>  <PubChem CID>
58080413

>  <Formula>
C26H33ClN2O3

>  <Molecular Weight>
457.011000

>  <IUPAC Name>
1-benzyl-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N-(2-methylpropyl)pyrrolidine-3-carboxamide

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)CN(CC1=CC2=C(C(=C1)Cl)OCCCO2)C(=O)C3CCN(C3)CC4=CC=CC=C4

>  <Isomeric SMILES>
CC(C)CN(CC1=CC2=C(C(=C1)Cl)OCCCO2)C(=O)C3CCN(C3)CC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C26H33ClN2O3/c1-19(2)15-29(17-21-13-23(27)25-24(14-21)31-11-6-12-32-25)26(30)22-9-10-28(18-22)16-20-7-4-3-5-8-20/h3-5,7-8,13-14,19,22H,6,9-12,15-18H2,1-2H3

>  <InChI Key>
IOXBZEKQVLIIQH-UHFFFAOYSA-N

