5-[3-azanyl-4-fluoranyl-1-(3-pyrimidin-5-ylphenyl)isoindol-1-yl]-2-methoxy-benzenecarbonitrile

Systemtic Name: 5-[3-azanyl-4-fluoranyl-1-(3-pyrimidin-5-ylphenyl)isoindol-1-yl]-2-methoxy-benzenecarbonitrile Openeye Name: 5-[3-amino-4-fluoro-1-(3-pyrimidin-5-ylphenyl)isoindol-1-yl]-2-methoxy-benzonitrile CAS Name: 5-[3-amino-4-fluoro-1-[3-(5-pyrimidinyl)phenyl]-1-isoindolyl]-2-methoxybenzonitrile IUPAC Name: 5-[3-amino-4-fluoro-1-(3-pyrimidin-5-ylphenyl)isoindol-1-yl]-2-methoxybenzonitrile Traditional Name: 5-[3-amino-4-fluoro-1-[3-(5-pyrimidyl)phenyl]isoindol-1-yl]-2-methoxy-benzonitrile Formula: C26H18FN5O MolecularWeight: 435.452423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H18FN5O/c1-33-23-9-8-20(11-17(23)12-28)26(21-6-3-7-22(27)24(21)25(29)32-26)19-5-2-4-16(10-19)18-13-30-15-31-14-18/h2-11,13-15H,1H3,(H2,29,32)