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

Systemtic Name: N-[4-[[4-(2-tert-butyl-8-fluoranyl-6-oxidanyl-quinolin-7-yl)carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide Openeye Name: N-[4-[[4-(2-tert-butyl-8-fluoro-6-hydroxy-quinoline-7-carbonyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide CAS Name: N-[4-[[[4-[(2-tert-butyl-8-fluoro-6-hydroxy-7-quinolinyl)-oxomethyl]phenyl]-oxomethyl]amino]-3-azepanyl]-4-pyridinecarboxamide IUPAC Name: N-[4-[[4-(2-tert-butyl-8-fluoro-6-hydroxyquinoline-7-carbonyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide Traditional Name: N-[4-[[4-(2-tert-butyl-8-fluoro-6-hydroxy-quinoline-7-carbonyl)benzoyl]amino]azepan-3-yl]isonicotinamide Formula: C33H34FN5O4 MolecularWeight: 583.652563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C(=C(C=C2C=C1)O)C(=O)C3=CC=C(C=C3)C(=O)NC4CCCNCC4NC(=O)C5=CC=NC=C5)F

Isomeric SMILES

CC(C)(C)C1=NC2=C(C(=C(C=C2C=C1)O)C(=O)C3=CC=C(C=C3)C(=O)NC4CCCNCC4NC(=O)C5=CC=NC=C5)F

InChI

InChI=1S/C33H34FN5O4/c1-33(2,3)26-11-10-22-17-25(40)27(28(34)29(22)39-26)30(41)19-6-8-20(9-7-19)31(42)37-23-5-4-14-36-18-24(23)38-32(43)21-12-15-35-16-13-21/h6-13,15-17,23-24,36,40H,4-5,14,18H2,1-3H3,(H,37,42)(H,38,43)