N-[[(2R)-5-fluoranyl-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide

Systemtic Name: N-[[(2R)-5-fluoranyl-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide Openeye Name: N-[[(2R)-5-fluoro-7-pyrimidin-5-yl-2,3-dihydrobenzofuran-2-yl]methyl]-5-isobutyl-isoxazole-3-carboxamide CAS Name: N-[[(2R)-5-fluoro-7-(5-pyrimidinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-5-(2-methylpropyl)-3-isoxazolecarboxamide IUPAC Name: N-[[(2R)-5-fluoro-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide Traditional Name: N-[[(2R)-5-fluoro-7-(5-pyrimidyl)coumaran-2-yl]methyl]-5-isobutyl-isoxazole-3-carboxamide Formula: C21H21FN4O3 MolecularWeight: 396.414843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=NO1)C(=O)NCC2CC3=C(O2)C(=CC(=C3)F)C4=CN=CN=C4

Isomeric SMILES

CC(C)CC1=CC(=NO1)C(=O)NC[C@H]2CC3=C(O2)C(=CC(=C3)F)C4=CN=CN=C4

InChI

InChI=1S/C21H21FN4O3/c1-12(2)3-16-7-19(26-29-16)21(27)25-10-17-5-13-4-15(22)6-18(20(13)28-17)14-8-23-11-24-9-14/h4,6-9,11-12,17H,3,5,10H2,1-2H3,(H,25,27)/t17-/m1/s1