3-(5-methylpyridin-2-yl)-5-[5-(1-oxidanidylpyridin-1-ium-2-yl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(1R)-1-[6-(trifluoromethyl)pyridin-3-yl]ethyl]benzamide

Systemtic Name: 3-(5-methylpyridin-2-yl)-5-[5-(1-oxidanidylpyridin-1-ium-2-yl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(1R)-1-[6-(trifluoromethyl)pyridin-3-yl]ethyl]benzamide Openeye Name: 3-(5-methyl-2-pyridyl)-5-[5-(1-oxidopyridin-1-ium-2-yl)-4,5-dihydroisoxazol-3-yl]-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridyl]ethyl]benzamide CAS Name: 3-(5-methyl-2-pyridinyl)-5-[5-(1-oxido-2-pyridin-1-iumyl)-4,5-dihydroisoxazol-3-yl]-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide IUPAC Name: 3-(5-methylpyridin-2-yl)-5-[5-(1-oxidopyridin-1-ium-2-yl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(1R)-1-[6-(trifluoromethyl)pyridin-3-yl]ethyl]benzamide Traditional Name: 3-(5-methyl-2-pyridyl)-5-[5-(1-oxidopyridin-1-ium-2-yl)-2-isoxazolin-3-yl]-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridyl]ethyl]benzamide Formula: C29H24F3N5O3 MolecularWeight: 547.52777

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)C2=CC(=CC(=C2)C(=O)NC(C)C3=CN=C(C=C3)C(F)(F)F)C4=NOC(C4)C5=CC=CC=[N+]5[O-]

Isomeric SMILES

CC1=CN=C(C=C1)C2=CC(=CC(=C2)C(=O)N[C@H](C)C3=CN=C(C=C3)C(F)(F)F)C4=NOC(C4)C5=CC=CC=[N+]5[O-]

InChI

InChI=1S/C29H24F3N5O3/c1-17-6-8-23(33-15-17)20-11-21(24-14-26(40-36-24)25-5-3-4-10-37(25)39)13-22(12-20)28(38)35-18(2)19-7-9-27(34-16-19)29(30,31)32/h3-13,15-16,18,26H,14H2,1-2H3,(H,35,38)/t18-,26?/m1/s1