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

Systemtic Name: 2-azanyl-N-[4-[[4-(2-fluoranyl-6-oxidanyl-3-piperidin-1-yl-phenyl)carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide Openeye Name: 2-amino-N-[4-[[4-[2-fluoro-6-hydroxy-3-(1-piperidyl)benzoyl]benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide CAS Name: 2-amino-N-[4-[[[4-[[2-fluoro-6-hydroxy-3-(1-piperidinyl)phenyl]-oxomethyl]phenyl]-oxomethyl]amino]-3-azepanyl]-4-pyridinecarboxamide IUPAC Name: 2-amino-N-[4-[[4-(2-fluoro-6-hydroxy-3-piperidin-1-ylbenzoyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide Traditional Name: 2-amino-N-[4-[[4-(2-fluoro-6-hydroxy-3-piperidino-benzoyl)benzoyl]amino]azepan-3-yl]isonicotinamide Formula: C31H35FN6O4 MolecularWeight: 574.645803

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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)N)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)N)F

InChI

InChI=1S/C31H35FN6O4/c32-28-24(38-15-2-1-3-16-38)10-11-25(39)27(28)29(40)19-6-8-20(9-7-19)30(41)36-22-5-4-13-34-18-23(22)37-31(42)21-12-14-35-26(33)17-21/h6-12,14,17,22-23,34,39H,1-5,13,15-16,18H2,(H2,33,35)(H,36,41)(H,37,42)