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

Systemtic Name: N-[[3-(3-oxidanylprop-1-ynyl)phenyl]methyl]-4-pentyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzamide Openeye Name: N-[[3-(3-hydroxyprop-1-ynyl)phenyl]methyl]-4-pentyl-N-[1-(3-pyridylmethyl)-4-piperidyl]benzamide CAS Name: N-[[3-(3-hydroxyprop-1-ynyl)phenyl]methyl]-4-pentyl-N-[1-(3-pyridinylmethyl)-4-piperidinyl]benzamide IUPAC Name: N-[[3-(3-hydroxyprop-1-ynyl)phenyl]methyl]-4-pentyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzamide Traditional Name: 4-amyl-N-[3-(3-hydroxyprop-1-ynyl)benzyl]-N-[1-(3-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=CN=CC=C4

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC=CC(=C2)C#CCO)C3CCN(CC3)CC4=CN=CC=C4

InChI

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