N-[[3-(3-oxidanylprop-1-ynyl)phenyl]methyl]-4-pentyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide

Systemtic Name: N-[[3-(3-oxidanylprop-1-ynyl)phenyl]methyl]-4-pentyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide Openeye Name: N-[[3-(3-hydroxyprop-1-ynyl)phenyl]methyl]-4-pentyl-N-[1-(2-pyridylmethyl)-4-piperidyl]benzamide CAS Name: N-[[3-(3-hydroxyprop-1-ynyl)phenyl]methyl]-4-pentyl-N-[1-(2-pyridinylmethyl)-4-piperidinyl]benzamide IUPAC Name: N-[[3-(3-hydroxyprop-1-ynyl)phenyl]methyl]-4-pentyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide Traditional Name: 4-amyl-N-[3-(3-hydroxyprop-1-ynyl)benzyl]-N-[1-(2-pyridylmethyl)-4-piperidyl]benzamide Formula: C33H39N3O2 MolecularWeight: 509.68166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC=CC(=C2)C#CCO)C3CCN(CC3)CC4=CC=CC=N4

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC=CC(=C2)C#CCO)C3CCN(CC3)CC4=CC=CC=N4

InChI

InChI=1S/C33H39N3O2/c1-2-3-4-9-27-14-16-30(17-15-27)33(38)36(25-29-11-7-10-28(24-29)12-8-23-37)32-18-21-35(22-19-32)26-31-13-5-6-20-34-31/h5-7,10-11,13-17,20,24,32,37H,2-4,9,18-19,21-23,25-26H2,1H3