N-[[(2R)-5-fluoranyl-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-quinoline-4-carboxamide

Systemtic Name: N-[[(2R)-5-fluoranyl-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-quinoline-4-carboxamide Openeye Name: N-[[(2R)-5-fluoro-7-(6-methoxypyridazin-3-yl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-methyl-quinoline-4-carboxamide CAS Name: N-[[(2R)-5-fluoro-7-(6-methoxy-3-pyridazinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-methyl-4-quinolinecarboxamide IUPAC Name: N-[[(2R)-5-fluoro-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylquinoline-4-carboxamide Traditional Name: N-[[(2R)-5-fluoro-7-(6-methoxypyridazin-3-yl)coumaran-2-yl]methyl]-2-methyl-cinchoninamide Formula: C25H21FN4O3 MolecularWeight: 444.457643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)NCC3CC4=C(O3)C(=CC(=C4)F)C5=NN=C(C=C5)OC

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)NC[C@H]3CC4=C(O3)C(=CC(=C4)F)C5=NN=C(C=C5)OC

InChI

InChI=1S/C25H21FN4O3/c1-14-9-19(18-5-3-4-6-21(18)28-14)25(31)27-13-17-11-15-10-16(26)12-20(24(15)33-17)22-7-8-23(32-2)30-29-22/h3-10,12,17H,11,13H2,1-2H3,(H,27,31)/t17-/m1/s1