
 N-[3-(4,4-Diphenylpiperidino)propyl]-2-(4-methoxybutyl)-4-(4-nitrophenyl)-6-ethyl-1,4-dihydropyridine-3,5-dicarboxamide

 99103  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  45   1  47  -1
M  END

>  <Chemical Name>
N-[3-(4,4-Diphenylpiperidino)propyl]-2-(4-methoxybutyl)-4-(4-nitrophenyl)-6-ethyl-1,4-dihydropyridine-3,5-dicarboxamide

>  <PubChem CID>
44329026

>  <Formula>
C40H49N5O5

>  <Molecular Weight>
679.862000

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

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCC1=C(C(C(=C(N1)CCCCOC)C(=O)NCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-])C(=O)N

>  <Isomeric SMILES>
CCC1=C(C(C(=C(N1)CCCCOC)C(=O)NCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-])C(=O)N

>  <InChI Std. ID>
InChI=1S/C40H49N5O5/c1-3-33-36(38(41)46)35(29-18-20-32(21-19-29)45(48)49)37(34(43-33)17-10-11-28-50-2)39(47)42-24-12-25-44-26-22-40(23-27-44,30-13-6-4-7-14-30)31-15-8-5-9-16-31/h4-9,13-16,18-21,35,43H,3,10-12,17,22-28H2,1-2H3,(H2,41,46)(H,42,47)

>  <InChI Key>
CPNQDPLKZHXMSB-UHFFFAOYSA-N

