4-chloranyl-5-fluoranyl-2-[3-(methylamino)-1-pyridin-3-yl-propoxy]benzenecarbonitrile

Systemtic Name: 4-chloranyl-5-fluoranyl-2-[3-(methylamino)-1-pyridin-3-yl-propoxy]benzenecarbonitrile Openeye Name: 4-chloro-5-fluoro-2-[3-(methylamino)-1-(3-pyridyl)propoxy]benzonitrile CAS Name: 4-chloro-5-fluoro-2-[3-(methylamino)-1-(3-pyridinyl)propoxy]benzonitrile IUPAC Name: 4-chloro-5-fluoro-2-[3-(methylamino)-1-pyridin-3-ylpropoxy]benzonitrile Traditional Name: 4-chloro-5-fluoro-2-[3-(methylamino)-1-(3-pyridyl)propoxy]benzonitrile Formula: C16H15ClFN3O MolecularWeight: 319.761203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCCC(C1=CN=CC=C1)OC2=CC(=C(C=C2C#N)F)Cl

Isomeric SMILES

CNCCC(C1=CN=CC=C1)OC2=CC(=C(C=C2C#N)F)Cl

InChI

InChI=1S/C16H15ClFN3O/c1-20-6-4-15(11-3-2-5-21-10-11)22-16-8-13(17)14(18)7-12(16)9-19/h2-3,5,7-8,10,15,20H,4,6H2,1H3