N-[(1R)-1-(5-fluoranyl-1-oxidanidyl-pyridin-1-ium-2-yl)ethyl]-3-(5-methylpyridin-2-yl)-5-[(5S)-5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl]benzamide

Systemtic Name: N-[(1R)-1-(5-fluoranyl-1-oxidanidyl-pyridin-1-ium-2-yl)ethyl]-3-(5-methylpyridin-2-yl)-5-[(5S)-5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl]benzamide Openeye Name: N-[(1R)-1-(5-fluoro-1-oxido-pyridin-1-ium-2-yl)ethyl]-3-(5-methyl-2-pyridyl)-5-[(5S)-5-(2-pyridyl)-4,5-dihydroisoxazol-3-yl]benzamide CAS Name: N-[(1R)-1-(5-fluoro-1-oxido-2-pyridin-1-iumyl)ethyl]-3-(5-methyl-2-pyridinyl)-5-[(5S)-5-(2-pyridinyl)-4,5-dihydroisoxazol-3-yl]benzamide IUPAC Name: N-[(1R)-1-(5-fluoro-1-oxidopyridin-1-ium-2-yl)ethyl]-3-(5-methylpyridin-2-yl)-5-[(5S)-5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl]benzamide Traditional Name: N-[(1R)-1-(5-fluoro-1-oxido-pyridin-1-ium-2-yl)ethyl]-3-(5-methyl-2-pyridyl)-5-[(5S)-5-(2-pyridyl)-2-isoxazolin-3-yl]benzamide Formula: C28H24FN5O3 MolecularWeight: 497.520263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)C2=CC(=CC(=C2)C(=O)NC(C)C3=[N+](C=C(C=C3)F)[O-])C4=NOC(C4)C5=CC=CC=N5

Isomeric SMILES

CC1=CN=C(C=C1)C2=CC(=CC(=C2)C(=O)N[C@H](C)C3=[N+](C=C(C=C3)F)[O-])C4=NO[C@@H](C4)C5=CC=CC=N5

InChI

InChI=1S/C28H24FN5O3/c1-17-6-8-23(31-15-17)19-11-20(25-14-27(37-33-25)24-5-3-4-10-30-24)13-21(12-19)28(35)32-18(2)26-9-7-22(29)16-34(26)36/h3-13,15-16,18,27H,14H2,1-2H3,(H,32,35)/t18-,27+/m1/s1