5-[3-[3-azanyl-4-fluoranyl-1-(2-methoxypyridin-4-yl)isoindol-1-yl]phenyl]pyridine-3-carbonitrile

Systemtic Name: 5-[3-[3-azanyl-4-fluoranyl-1-(2-methoxypyridin-4-yl)isoindol-1-yl]phenyl]pyridine-3-carbonitrile Openeye Name: 5-[3-[3-amino-4-fluoro-1-(2-methoxy-4-pyridyl)isoindol-1-yl]phenyl]pyridine-3-carbonitrile CAS Name: 5-[3-[3-amino-4-fluoro-1-(2-methoxy-4-pyridinyl)-1-isoindolyl]phenyl]-3-pyridinecarbonitrile IUPAC Name: 5-[3-[3-amino-4-fluoro-1-(2-methoxypyridin-4-yl)isoindol-1-yl]phenyl]pyridine-3-carbonitrile Traditional Name: 5-[3-[3-amino-4-fluoro-1-(2-methoxy-4-pyridyl)isoindol-1-yl]phenyl]nicotinonitrile Formula: C26H18FN5O MolecularWeight: 435.452423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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