
 BDBM50081825

 94 98  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  17   1  19  -1
M  END

>  <Chemical Name>
BDBM50081825

>  <PubChem CID>
91931168

>  <Formula>
C38H46N6O4

>  <Molecular Weight>
650.824000

>  <IUPAC Name>
6-(4-aminobutyl)-5-N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-methyl-4-(4-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=NC(=C(C(C1C(=O)N)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCCCN3CCC(CC3)(C4=CC=CC=C4)C5=CC=CC=C5)CCCCN

>  <Isomeric SMILES>
CC1=NC(=C(C(C1C(=O)N)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCCCN3CCC(CC3)(C4=CC=CC=C4)C5=CC=CC=C5)CCCCN

>  <InChI Std. ID>
InChI=1S/C38H46N6O4/c1-27-33(36(40)45)34(28-16-18-31(19-17-28)44(47)48)35(32(42-27)15-8-9-22-39)37(46)41-23-10-24-43-25-20-38(21-26-43,29-11-4-2-5-12-29)30-13-6-3-7-14-30/h2-7,11-14,16-19,33-34H,8-10,15,20-26,39H2,1H3,(H2,40,45)(H,41,46)

>  <InChI Key>
BERGTWZFNNPONR-UHFFFAOYSA-N

