N-[2-[[4-(hydroxymethyl)-4-phenethyl-piperidin-1-yl]methyl]quinolin-6-yl]ethanamide

Systemtic Name: N-[2-[[4-(hydroxymethyl)-4-phenethyl-piperidin-1-yl]methyl]quinolin-6-yl]ethanamide Openeye Name: N-[2-[[4-(hydroxymethyl)-4-phenethyl-1-piperidyl]methyl]-6-quinolyl]acetamide CAS Name: N-[2-[[4-(hydroxymethyl)-4-phenethyl-1-piperidinyl]methyl]-6-quinolinyl]acetamide IUPAC Name: N-[2-[[4-(hydroxymethyl)-4-phenethylpiperidin-1-yl]methyl]quinolin-6-yl]acetamide Traditional Name: N-[2-[(4-methylol-4-phenethyl-piperidino)methyl]-6-quinolyl]acetamide Formula: C26H31N3O2 MolecularWeight: 417.54324

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(C=C2)CN3CCC(CC3)(CCC4=CC=CC=C4)CO

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(C=C2)CN3CCC(CC3)(CCC4=CC=CC=C4)CO

InChI

InChI=1S/C26H31N3O2/c1-20(31)27-23-9-10-25-22(17-23)7-8-24(28-25)18-29-15-13-26(19-30,14-16-29)12-11-21-5-3-2-4-6-21/h2-10,17,30H,11-16,18-19H2,1H3,(H,27,31)