N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentyl-N-[[3-(2-phenylethynyl)phenyl]methyl]benzamide

Systemtic Name: N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentyl-N-[[3-(2-phenylethynyl)phenyl]methyl]benzamide Openeye Name: N-(1-isopentyl-4-piperidyl)-4-pentyl-N-[[3-(2-phenylethynyl)phenyl]methyl]benzamide CAS Name: N-[1-(3-methylbutyl)-4-piperidinyl]-4-pentyl-N-[[3-(2-phenylethynyl)phenyl]methyl]benzamide IUPAC Name: N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentyl-N-[[3-(2-phenylethynyl)phenyl]methyl]benzamide Traditional Name: 4-amyl-N-(1-isoamyl-4-piperidyl)-N-[3-(2-phenylethynyl)benzyl]benzamide Formula: C37H46N2O MolecularWeight: 534.77394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC=CC(=C2)C#CC3=CC=CC=C3)C4CCN(CC4)CCC(C)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC=CC(=C2)C#CC3=CC=CC=C3)C4CCN(CC4)CCC(C)C

InChI

InChI=1S/C37H46N2O/c1-4-5-7-11-32-18-20-35(21-19-32)37(40)39(36-23-26-38(27-24-36)25-22-30(2)3)29-34-15-10-14-33(28-34)17-16-31-12-8-6-9-13-31/h6,8-10,12-15,18-21,28,30,36H,4-5,7,11,22-27,29H2,1-3H3