7-fluoranyl-3-(4-fluoranyl-3-methoxy-phenyl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine

Systemtic Name: 7-fluoranyl-3-(4-fluoranyl-3-methoxy-phenyl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine Openeye Name: 7-fluoro-3-(4-fluoro-3-methoxy-phenyl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine CAS Name: 7-fluoro-3-(4-fluoro-3-methoxyphenyl)-3-[3-(5-pyrimidinyl)phenyl]-1-isoindolamine IUPAC Name: 7-fluoro-3-(4-fluoro-3-methoxyphenyl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine Traditional Name: [7-fluoro-3-(4-fluoro-3-methoxy-phenyl)-3-[3-(5-pyrimidyl)phenyl]isoindol-1-yl]amine Formula: C25H18F2N4O MolecularWeight: 428.433426

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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

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

InChI

InChI=1S/C25H18F2N4O/c1-32-22-11-18(8-9-20(22)26)25(19-6-3-7-21(27)23(19)24(28)31-25)17-5-2-4-15(10-17)16-12-29-14-30-13-16/h2-14H,1H3,(H2,28,31)