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

Systemtic Name: 2-azanyl-N-[4-[[4-(2-tert-butyl-8-fluoranyl-6-oxidanyl-quinolin-7-yl)carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide Openeye Name: 2-amino-N-[4-[[4-(2-tert-butyl-8-fluoro-6-hydroxy-quinoline-7-carbonyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide CAS Name: 2-amino-N-[4-[[[4-[(2-tert-butyl-8-fluoro-6-hydroxy-7-quinolinyl)-oxomethyl]phenyl]-oxomethyl]amino]-3-azepanyl]-4-pyridinecarboxamide IUPAC Name: 2-amino-N-[4-[[4-(2-tert-butyl-8-fluoro-6-hydroxyquinoline-7-carbonyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide Traditional Name: 2-amino-N-[4-[[4-(2-tert-butyl-8-fluoro-6-hydroxy-quinoline-7-carbonyl)benzoyl]amino]azepan-3-yl]isonicotinamide Formula: C33H35FN6O4 MolecularWeight: 598.667203

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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)N)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)N)F

InChI

InChI=1S/C33H35FN6O4/c1-33(2,3)25-11-10-20-15-24(41)27(28(34)29(20)40-25)30(42)18-6-8-19(9-7-18)31(43)38-22-5-4-13-36-17-23(22)39-32(44)21-12-14-37-26(35)16-21/h6-12,14-16,22-23,36,41H,4-5,13,17H2,1-3H3,(H2,35,37)(H,38,43)(H,39,44)