7-fluoranyl-3-[6-methoxy-5-(trifluoromethyl)pyridin-3-yl]-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine

Systemtic Name: 7-fluoranyl-3-[6-methoxy-5-(trifluoromethyl)pyridin-3-yl]-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine Openeye Name: 7-fluoro-3-[6-methoxy-5-(trifluoromethyl)-3-pyridyl]-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine CAS Name: 7-fluoro-3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-3-[3-(5-pyrimidinyl)phenyl]-1-isoindolamine IUPAC Name: 7-fluoro-3-[6-methoxy-5-(trifluoromethyl)pyridin-3-yl]-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine Traditional Name: [7-fluoro-3-[6-methoxy-5-(trifluoromethyl)-3-pyridyl]-3-[3-(5-pyrimidyl)phenyl]isoindol-1-yl]amine Formula: C25H17F4N5O MolecularWeight: 479.428993

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=N1)C2(C3=C(C(=CC=C3)F)C(=N2)N)C4=CC=CC(=C4)C5=CN=CN=C5)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=N1)C2(C3=C(C(=CC=C3)F)C(=N2)N)C4=CC=CC(=C4)C5=CN=CN=C5)C(F)(F)F

InChI

InChI=1S/C25H17F4N5O/c1-35-23-19(25(27,28)29)9-17(12-33-23)24(18-6-3-7-20(26)21(18)22(30)34-24)16-5-2-4-14(8-16)15-10-31-13-32-11-15/h2-13H,1H3,(H2,30,34)