(3S)-N-[[(2S)-5-fluoranyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-methyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[[(2S)-5-fluoranyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-methyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[[(2S)-5-fluoro-7-(2-pyridyl)-2,3-dihydrobenzofuran-2-yl]methyl]-1-methyl-piperidine-3-carboxamide CAS Name: (3S)-N-[[(2S)-5-fluoro-7-(2-pyridinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-1-methyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[[(2S)-5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-methylpiperidine-3-carboxamide Traditional Name: (3S)-N-[[(2S)-5-fluoro-7-(2-pyridyl)coumaran-2-yl]methyl]-1-methyl-nipecotamide Formula: C21H24FN3O2 MolecularWeight: 369.432563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1)C(=O)NCC2CC3=C(O2)C(=CC(=C3)F)C4=CC=CC=N4

Isomeric SMILES

CN1CCC[C@@H](C1)C(=O)NC[C@@H]2CC3=C(O2)C(=CC(=C3)F)C4=CC=CC=N4

InChI

InChI=1S/C21H24FN3O2/c1-25-8-4-5-14(13-25)21(26)24-12-17-10-15-9-16(22)11-18(20(15)27-17)19-6-2-3-7-23-19/h2-3,6-7,9,11,14,17H,4-5,8,10,12-13H2,1H3,(H,24,26)/t14-,17-/m0/s1