2-[4-[[2-(hydroxymethyl)-6-methoxy-phenyl]amino]piperidin-1-yl]-N-quinolin-6-yl-ethanamide

Systemtic Name: 2-[4-[[2-(hydroxymethyl)-6-methoxy-phenyl]amino]piperidin-1-yl]-N-quinolin-6-yl-ethanamide Openeye Name: 2-[4-[2-(hydroxymethyl)-6-methoxy-anilino]-1-piperidyl]-N-(6-quinolyl)acetamide CAS Name: 2-[4-[2-(hydroxymethyl)-6-methoxyanilino]-1-piperidinyl]-N-(6-quinolinyl)acetamide IUPAC Name: 2-[4-[2-(hydroxymethyl)-6-methoxyanilino]piperidin-1-yl]-N-quinolin-6-ylacetamide Traditional Name: 2-[4-(2-methoxy-6-methylol-anilino)piperidino]-N-(6-quinolyl)acetamide Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1NC2CCN(CC2)CC(=O)NC3=CC4=C(C=C3)N=CC=C4)CO

Isomeric SMILES

COC1=CC=CC(=C1NC2CCN(CC2)CC(=O)NC3=CC4=C(C=C3)N=CC=C4)CO

InChI

InChI=1S/C24H28N4O3/c1-31-22-6-2-4-18(16-29)24(22)27-19-9-12-28(13-10-19)15-23(30)26-20-7-8-21-17(14-20)5-3-11-25-21/h2-8,11,14,19,27,29H,9-10,12-13,15-16H2,1H3,(H,26,30)