2-fluoranyl-5-[4-(4-oxidanyl-6-pyridin-3-yl-hexan-3-yl)oxyphenyl]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-5-[4-(4-oxidanyl-6-pyridin-3-yl-hexan-3-yl)oxyphenyl]benzenecarbonitrile Openeye Name: 5-[4-[1-ethyl-2-hydroxy-4-(3-pyridyl)butoxy]phenyl]-2-fluoro-benzonitrile CAS Name: 2-fluoro-5-[4-[4-hydroxy-6-(3-pyridinyl)hexan-3-yl]oxyphenyl]benzonitrile IUPAC Name: 2-fluoro-5-[4-(4-hydroxy-6-pyridin-3-ylhexan-3-yl)oxyphenyl]benzonitrile Traditional Name: 5-[4-[1-ethyl-2-hydroxy-4-(3-pyridyl)butoxy]phenyl]-2-fluoro-benzonitrile Formula: C24H23FN2O2 MolecularWeight: 390.450023

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CCC1=CN=CC=C1)O)OC2=CC=C(C=C2)C3=CC(=C(C=C3)F)C#N

Isomeric SMILES

CCC(C(CCC1=CN=CC=C1)O)OC2=CC=C(C=C2)C3=CC(=C(C=C3)F)C#N

InChI

InChI=1S/C24H23FN2O2/c1-2-24(23(28)12-5-17-4-3-13-27-16-17)29-21-9-6-18(7-10-21)19-8-11-22(25)20(14-19)15-26/h3-4,6-11,13-14,16,23-24,28H,2,5,12H2,1H3