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

Systemtic Name: 2-fluoranyl-5-[4-(3-oxidanyl-5-pyridin-3-yl-pentan-2-yl)oxyphenyl]benzenecarbonitrile Openeye Name: 2-fluoro-5-[4-[2-hydroxy-1-methyl-4-(3-pyridyl)butoxy]phenyl]benzonitrile CAS Name: 2-fluoro-5-[4-[3-hydroxy-5-(3-pyridinyl)pentan-2-yl]oxyphenyl]benzonitrile IUPAC Name: 2-fluoro-5-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]benzonitrile Traditional Name: 2-fluoro-5-[4-[2-hydroxy-1-methyl-4-(3-pyridyl)butoxy]phenyl]benzonitrile Formula: C23H21FN2O2 MolecularWeight: 376.423443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21FN2O2/c1-16(23(27)11-4-17-3-2-12-26-15-17)28-21-8-5-18(6-9-21)19-7-10-22(24)20(13-19)14-25/h2-3,5-10,12-13,15-16,23,27H,4,11H2,1H3