2-[5-[3-azanyl-4-fluoranyl-1-(3-pyrimidin-5-ylphenyl)isoindol-1-yl]-3-methyl-2-oxidanyl-phenyl]ethanenitrile

Systemtic Name: 2-[5-[3-azanyl-4-fluoranyl-1-(3-pyrimidin-5-ylphenyl)isoindol-1-yl]-3-methyl-2-oxidanyl-phenyl]ethanenitrile Openeye Name: 2-[5-[3-amino-4-fluoro-1-(3-pyrimidin-5-ylphenyl)isoindol-1-yl]-2-hydroxy-3-methyl-phenyl]acetonitrile CAS Name: 2-[5-[3-amino-4-fluoro-1-[3-(5-pyrimidinyl)phenyl]-1-isoindolyl]-2-hydroxy-3-methylphenyl]acetonitrile IUPAC Name: 2-[5-[3-amino-4-fluoro-1-(3-pyrimidin-5-ylphenyl)isoindol-1-yl]-2-hydroxy-3-methylphenyl]acetonitrile Traditional Name: 2-[5-[3-amino-4-fluoro-1-[3-(5-pyrimidyl)phenyl]isoindol-1-yl]-2-hydroxy-3-methyl-phenyl]acetonitrile Formula: C27H20FN5O MolecularWeight: 449.479003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C2(C3=C(C(=CC=C3)F)C(=N2)N)C4=CC=CC(=C4)C5=CN=CN=C5)CC#N)O

Isomeric SMILES

CC1=C(C(=CC(=C1)C2(C3=C(C(=CC=C3)F)C(=N2)N)C4=CC=CC(=C4)C5=CN=CN=C5)CC#N)O

InChI

InChI=1S/C27H20FN5O/c1-16-10-21(12-18(8-9-29)25(16)34)27(22-6-3-7-23(28)24(22)26(30)33-27)20-5-2-4-17(11-20)19-13-31-15-32-14-19/h2-7,10-15,34H,8H2,1H3,(H2,30,33)