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

Systemtic Name: N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentyl-N-[[3-(2-pyridin-3-ylethynyl)phenyl]methyl]benzamide Openeye Name: N-(1-isopentyl-4-piperidyl)-4-pentyl-N-[[3-[2-(3-pyridyl)ethynyl]phenyl]methyl]benzamide CAS Name: N-[1-(3-methylbutyl)-4-piperidinyl]-4-pentyl-N-[[3-[2-(3-pyridinyl)ethynyl]phenyl]methyl]benzamide IUPAC Name: N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentyl-N-[[3-(2-pyridin-3-ylethynyl)phenyl]methyl]benzamide Traditional Name: 4-amyl-N-(1-isoamyl-4-piperidyl)-N-[3-[2-(3-pyridyl)ethynyl]benzyl]benzamide Formula: C36H45N3O MolecularWeight: 535.762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H45N3O/c1-4-5-6-9-30-15-17-34(18-16-30)36(40)39(35-20-24-38(25-21-35)23-19-29(2)3)28-33-11-7-10-31(26-33)13-14-32-12-8-22-37-27-32/h7-8,10-12,15-18,22,26-27,29,35H,4-6,9,19-21,23-25,28H2,1-3H3