N-[4-[[4-(2-fluoranyl-6-oxidanyl-3-piperidin-1-yl-phenyl)carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide

Systemtic Name: N-[4-[[4-(2-fluoranyl-6-oxidanyl-3-piperidin-1-yl-phenyl)carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide Openeye Name: N-[4-[[4-[2-fluoro-6-hydroxy-3-(1-piperidyl)benzoyl]benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide CAS Name: N-[4-[[[4-[[2-fluoro-6-hydroxy-3-(1-piperidinyl)phenyl]-oxomethyl]phenyl]-oxomethyl]amino]-3-azepanyl]-4-pyridinecarboxamide IUPAC Name: N-[4-[[4-(2-fluoro-6-hydroxy-3-piperidin-1-ylbenzoyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide Traditional Name: N-[4-[[4-(2-fluoro-6-hydroxy-3-piperidino-benzoyl)benzoyl]amino]azepan-3-yl]isonicotinamide Formula: C31H34FN5O4 MolecularWeight: 559.631163

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=C(C=C2)O)C(=O)C3=CC=C(C=C3)C(=O)NC4CCCNCC4NC(=O)C5=CC=NC=C5)F

Isomeric SMILES

C1CCN(CC1)C2=C(C(=C(C=C2)O)C(=O)C3=CC=C(C=C3)C(=O)NC4CCCNCC4NC(=O)C5=CC=NC=C5)F

InChI

InChI=1S/C31H34FN5O4/c32-28-25(37-17-2-1-3-18-37)10-11-26(38)27(28)29(39)20-6-8-21(9-7-20)30(40)35-23-5-4-14-34-19-24(23)36-31(41)22-12-15-33-16-13-22/h6-13,15-16,23-24,34,38H,1-5,14,17-19H2,(H,35,40)(H,36,41)