N-[(4R)-4-[[4-(2-fluoranyl-3-methoxy-6-oxidanyl-phenyl)carbonylphenyl]methoxy]azepan-3-yl]pyridine-4-carboxamide

Systemtic Name: N-[(4R)-4-[[4-(2-fluoranyl-3-methoxy-6-oxidanyl-phenyl)carbonylphenyl]methoxy]azepan-3-yl]pyridine-4-carboxamide Openeye Name: N-[(4R)-4-[[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)phenyl]methoxy]azepan-3-yl]pyridine-4-carboxamide CAS Name: N-[(4R)-4-[[4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)-oxomethyl]phenyl]methoxy]-3-azepanyl]-4-pyridinecarboxamide IUPAC Name: N-[(4R)-4-[[4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)phenyl]methoxy]azepan-3-yl]pyridine-4-carboxamide Traditional Name: N-[(4R)-4-[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)benzyl]oxyazepan-3-yl]isonicotinamide Formula: C27H28FN3O5 MolecularWeight: 493.526723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)O)C(=O)C2=CC=C(C=C2)COC3CCCNCC3NC(=O)C4=CC=NC=C4)F

Isomeric SMILES

COC1=C(C(=C(C=C1)O)C(=O)C2=CC=C(C=C2)CO[C@@H]3CCCNCC3NC(=O)C4=CC=NC=C4)F

InChI

InChI=1S/C27H28FN3O5/c1-35-23-9-8-21(32)24(25(23)28)26(33)18-6-4-17(5-7-18)16-36-22-3-2-12-30-15-20(22)31-27(34)19-10-13-29-14-11-19/h4-11,13-14,20,22,30,32H,2-3,12,15-16H2,1H3,(H,31,34)/t20?,22-/m1/s1