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

Systemtic Name: 4-fluoranyl-3-[4-(3-oxidanyl-5-pyridin-3-yl-pentan-2-yl)oxyphenyl]benzenecarbonitrile Openeye Name: 4-fluoro-3-[4-[2-hydroxy-1-methyl-4-(3-pyridyl)butoxy]phenyl]benzonitrile CAS Name: 4-fluoro-3-[4-[3-hydroxy-5-(3-pyridinyl)pentan-2-yl]oxyphenyl]benzonitrile IUPAC Name: 4-fluoro-3-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]benzonitrile Traditional Name: 4-fluoro-3-[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=C(C=CC(=C3)C#N)F

Isomeric SMILES

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

InChI

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