5-[(2S)-7-fluoranyl-2-[[(1-piperidin-1-ylcyclohexyl)carbonylamino]methyl]-2,3-dihydro-1-benzofuran-5-yl]pyridine-3-carboxamide

Systemtic Name: 5-[(2S)-7-fluoranyl-2-[[(1-piperidin-1-ylcyclohexyl)carbonylamino]methyl]-2,3-dihydro-1-benzofuran-5-yl]pyridine-3-carboxamide Openeye Name: 5-[(2S)-7-fluoro-2-[[[1-(1-piperidyl)cyclohexanecarbonyl]amino]methyl]-2,3-dihydrobenzofuran-5-yl]pyridine-3-carboxamide CAS Name: 5-[(2S)-7-fluoro-2-[[[oxo-[1-(1-piperidinyl)cyclohexyl]methyl]amino]methyl]-2,3-dihydrobenzofuran-5-yl]-3-pyridinecarboxamide IUPAC Name: 5-[(2S)-7-fluoro-2-[[(1-piperidin-1-ylcyclohexanecarbonyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-yl]pyridine-3-carboxamide Traditional Name: 5-[(2S)-7-fluoro-2-[[(1-piperidinocyclohexanecarbonyl)amino]methyl]coumaran-5-yl]nicotinamide Formula: C27H33FN4O3 MolecularWeight: 480.574323

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NCC2CC3=C(O2)C(=CC(=C3)C4=CC(=CN=C4)C(=O)N)F)N5CCCCC5

Isomeric SMILES

C1CCC(CC1)(C(=O)NC[C@@H]2CC3=C(O2)C(=CC(=C3)C4=CC(=CN=C4)C(=O)N)F)N5CCCCC5

InChI

InChI=1S/C27H33FN4O3/c28-23-14-18(20-12-21(25(29)33)16-30-15-20)11-19-13-22(35-24(19)23)17-31-26(34)27(7-3-1-4-8-27)32-9-5-2-6-10-32/h11-12,14-16,22H,1-10,13,17H2,(H2,29,33)(H,31,34)/t22-/m0/s1