2-azanyl-N-[4-[[4-(8-fluoranyl-6-oxidanyl-quinolin-7-yl)carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide

Systemtic Name: 2-azanyl-N-[4-[[4-(8-fluoranyl-6-oxidanyl-quinolin-7-yl)carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide Openeye Name: 2-amino-N-[4-[[4-(8-fluoro-6-hydroxy-quinoline-7-carbonyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide CAS Name: 2-amino-N-[4-[[[4-[(8-fluoro-6-hydroxy-7-quinolinyl)-oxomethyl]phenyl]-oxomethyl]amino]-3-azepanyl]-4-pyridinecarboxamide IUPAC Name: 2-amino-N-[4-[[4-(8-fluoro-6-hydroxyquinoline-7-carbonyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide Traditional Name: 2-amino-N-[4-[[4-(8-fluoro-6-hydroxy-quinoline-7-carbonyl)benzoyl]amino]azepan-3-yl]isonicotinamide Formula: C29H27FN6O4 MolecularWeight: 542.560883

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CNC1)NC(=O)C2=CC(=NC=C2)N)NC(=O)C3=CC=C(C=C3)C(=O)C4=C(C=C5C=CC=NC5=C4F)O

Isomeric SMILES

C1CC(C(CNC1)NC(=O)C2=CC(=NC=C2)N)NC(=O)C3=CC=C(C=C3)C(=O)C4=C(C=C5C=CC=NC5=C4F)O

InChI

InChI=1S/C29H27FN6O4/c30-25-24(22(37)13-18-3-1-11-34-26(18)25)27(38)16-5-7-17(8-6-16)28(39)35-20-4-2-10-32-15-21(20)36-29(40)19-9-12-33-23(31)14-19/h1,3,5-9,11-14,20-21,32,37H,2,4,10,15H2,(H2,31,33)(H,35,39)(H,36,40)