N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[3-(3-oxidanyl-3-phenyl-but-1-ynyl)phenyl]methyl]-4-pentyl-benzamide

Systemtic Name: N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[3-(3-oxidanyl-3-phenyl-but-1-ynyl)phenyl]methyl]-4-pentyl-benzamide Openeye Name: N-[[3-(3-hydroxy-3-phenyl-but-1-ynyl)phenyl]methyl]-N-(1-isopentyl-4-piperidyl)-4-pentyl-benzamide CAS Name: N-[[3-(3-hydroxy-3-phenylbut-1-ynyl)phenyl]methyl]-N-[1-(3-methylbutyl)-4-piperidinyl]-4-pentylbenzamide IUPAC Name: N-[[3-(3-hydroxy-3-phenylbut-1-ynyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentylbenzamide Traditional Name: 4-amyl-N-[3-(3-hydroxy-3-phenyl-but-1-ynyl)benzyl]-N-(1-isoamyl-4-piperidyl)benzamide Formula: C39H50N2O2 MolecularWeight: 578.8265

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC=CC(=C2)C#CC(C)(C3=CC=CC=C3)O)C4CCN(CC4)CCC(C)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC=CC(=C2)C#CC(C)(C3=CC=CC=C3)O)C4CCN(CC4)CCC(C)C

InChI

InChI=1S/C39H50N2O2/c1-5-6-8-12-32-17-19-35(20-18-32)38(42)41(37-23-27-40(28-24-37)26-22-31(2)3)30-34-14-11-13-33(29-34)21-25-39(4,43)36-15-9-7-10-16-36/h7,9-11,13-20,29,31,37,43H,5-6,8,12,22-24,26-28,30H2,1-4H3