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

Systemtic Name: N-[(5-fluoranyl-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,6-dimethyl-quinoline-4-carboxamide Openeye Name: N-[(5-fluoro-7-pyrimidin-5-yl-2,3-dihydrobenzofuran-2-yl)methyl]-2,6-dimethyl-quinoline-4-carboxamide CAS Name: N-[[5-fluoro-7-(5-pyrimidinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2,6-dimethyl-4-quinolinecarboxamide IUPAC Name: N-[(5-fluoro-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,6-dimethylquinoline-4-carboxamide Traditional Name: N-[[5-fluoro-7-(5-pyrimidyl)coumaran-2-yl]methyl]-2,6-dimethyl-cinchoninamide Formula: C25H21FN4O2 MolecularWeight: 428.458243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NCC3CC4=C(O3)C(=CC(=C4)F)C5=CN=CN=C5)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NCC3CC4=C(O3)C(=CC(=C4)F)C5=CN=CN=C5)C

InChI

InChI=1S/C25H21FN4O2/c1-14-3-4-23-21(5-14)22(6-15(2)30-23)25(31)29-12-19-8-16-7-18(26)9-20(24(16)32-19)17-10-27-13-28-11-17/h3-7,9-11,13,19H,8,12H2,1-2H3,(H,29,31)