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

Systemtic Name: N-[4-[[4-(2-fluoranyl-3-methyl-6-oxidanyl-phenyl)carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide Openeye Name: N-[4-[[4-(2-fluoro-6-hydroxy-3-methyl-benzoyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide CAS Name: N-[4-[[[4-[(2-fluoro-6-hydroxy-3-methylphenyl)-oxomethyl]phenyl]-oxomethyl]amino]-3-azepanyl]-4-pyridinecarboxamide IUPAC Name: N-[4-[[4-(2-fluoro-6-hydroxy-3-methylbenzoyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide Traditional Name: N-[4-[[4-(2-fluoro-6-hydroxy-3-methyl-benzoyl)benzoyl]amino]azepan-3-yl]isonicotinamide Formula: C27H27FN4O4 MolecularWeight: 490.526083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)O)C(=O)C2=CC=C(C=C2)C(=O)NC3CCCNCC3NC(=O)C4=CC=NC=C4)F

Isomeric SMILES

CC1=C(C(=C(C=C1)O)C(=O)C2=CC=C(C=C2)C(=O)NC3CCCNCC3NC(=O)C4=CC=NC=C4)F

InChI

InChI=1S/C27H27FN4O4/c1-16-4-9-22(33)23(24(16)28)25(34)17-5-7-18(8-6-17)26(35)31-20-3-2-12-30-15-21(20)32-27(36)19-10-13-29-14-11-19/h4-11,13-14,20-21,30,33H,2-3,12,15H2,1H3,(H,31,35)(H,32,36)