3-[3,4-bis(fluoranyl)-5-methoxy-phenyl]-7-fluoranyl-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine

Systemtic Name: 3-[3,4-bis(fluoranyl)-5-methoxy-phenyl]-7-fluoranyl-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine Openeye Name: 3-(3,4-difluoro-5-methoxy-phenyl)-7-fluoro-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine CAS Name: 3-(3,4-difluoro-5-methoxyphenyl)-7-fluoro-3-[3-(5-pyrimidinyl)phenyl]-1-isoindolamine IUPAC Name: 3-(3,4-difluoro-5-methoxyphenyl)-7-fluoro-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine Traditional Name: [3-(3,4-difluoro-5-methoxy-phenyl)-7-fluoro-3-[3-(5-pyrimidyl)phenyl]isoindol-1-yl]amine Formula: C25H17F3N4O MolecularWeight: 446.42389

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2(C3=C(C(=CC=C3)F)C(=N2)N)C4=CC=CC(=C4)C5=CN=CN=C5)F)F

Isomeric SMILES

COC1=C(C(=CC(=C1)C2(C3=C(C(=CC=C3)F)C(=N2)N)C4=CC=CC(=C4)C5=CN=CN=C5)F)F

InChI

InChI=1S/C25H17F3N4O/c1-33-21-10-17(9-20(27)23(21)28)25(18-6-3-7-19(26)22(18)24(29)32-25)16-5-2-4-14(8-16)15-11-30-13-31-12-15/h2-13H,1H3,(H2,29,32)