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

Systemtic Name: N-[(4R)-4-[[4-(2-fluoranyl-3-methoxy-6-oxidanyl-phenyl)carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide Openeye Name: N-[(4R)-4-[[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide CAS Name: N-[(4R)-4-[[[4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)-oxomethyl]phenyl]-oxomethyl]amino]-3-azepanyl]-4-pyridinecarboxamide IUPAC Name: N-[(4R)-4-[[4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide Traditional Name: N-[(4R)-4-[[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)benzoyl]amino]azepan-3-yl]isonicotinamide Formula: C27H27FN4O5 MolecularWeight: 506.525483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)O)C(=O)C2=CC=C(C=C2)C(=O)NC3CCCNCC3NC(=O)C4=CC=NC=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C27H27FN4O5/c1-37-22-9-8-21(33)23(24(22)28)25(34)16-4-6-17(7-5-16)26(35)31-19-3-2-12-30-15-20(19)32-27(36)18-10-13-29-14-11-18/h4-11,13-14,19-20,30,33H,2-3,12,15H2,1H3,(H,31,35)(H,32,36)/t19-,20?/m1/s1