5-[2-(5-butyl-1,3-dioxan-2-yl)ethynyl]-2-(4-chloranyl-3-fluoranyl-phenyl)pyridine

Systemtic Name: 5-[2-(5-butyl-1,3-dioxan-2-yl)ethynyl]-2-(4-chloranyl-3-fluoranyl-phenyl)pyridine Openeye Name: 5-[2-(5-butyl-1,3-dioxan-2-yl)ethynyl]-2-(4-chloro-3-fluoro-phenyl)pyridine CAS Name: 5-[2-(5-butyl-1,3-dioxan-2-yl)ethynyl]-2-(4-chloro-3-fluorophenyl)pyridine IUPAC Name: 5-[2-(5-butyl-1,3-dioxan-2-yl)ethynyl]-2-(4-chloro-3-fluorophenyl)pyridine Traditional Name: 5-[2-(5-butyl-1,3-dioxan-2-yl)ethynyl]-2-(4-chloro-3-fluoro-phenyl)pyridine Formula: C21H21ClFNO2 MolecularWeight: 373.848343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1COC(OC1)C#CC2=CN=C(C=C2)C3=CC(=C(C=C3)Cl)F

Isomeric SMILES

CCCCC1COC(OC1)C#CC2=CN=C(C=C2)C3=CC(=C(C=C3)Cl)F

InChI

InChI=1S/C21H21ClFNO2/c1-2-3-4-16-13-25-21(26-14-16)10-6-15-5-9-20(24-12-15)17-7-8-18(22)19(23)11-17/h5,7-9,11-12,16,21H,2-4,13-14H2,1H3