N-[2,3-bis(oxidanyl)propyl]-4-[(4-ethyl-2-fluoranyl-phenyl)amino]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: N-[2,3-bis(oxidanyl)propyl]-4-[(4-ethyl-2-fluoranyl-phenyl)amino]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-(2,3-dihydroxypropyl)-4-(4-ethyl-2-fluoro-anilino)-1-methyl-6-oxo-pyridine-3-carboxamide CAS Name: N-(2,3-dihydroxypropyl)-4-(4-ethyl-2-fluoroanilino)-1-methyl-6-oxo-3-pyridinecarboxamide IUPAC Name: N-(2,3-dihydroxypropyl)-4-(4-ethyl-2-fluoroanilino)-1-methyl-6-oxopyridine-3-carboxamide Traditional Name: 4-(4-ethyl-2-fluoro-anilino)-N-glyceryl-6-keto-1-methyl-nicotinamide Formula: C18H22FN3O4 MolecularWeight: 363.383383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)NC2=CC(=O)N(C=C2C(=O)NCC(CO)O)C)F

Isomeric SMILES

CCC1=CC(=C(C=C1)NC2=CC(=O)N(C=C2C(=O)NCC(CO)O)C)F

InChI

InChI=1S/C18H22FN3O4/c1-3-11-4-5-15(14(19)6-11)21-16-7-17(25)22(2)9-13(16)18(26)20-8-12(24)10-23/h4-7,9,12,21,23-24H,3,8,10H2,1-2H3,(H,20,26)