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

Systemtic Name: 4-chloranyl-5-fluoranyl-2-[3-(methylamino)-1-phenyl-propoxy]benzenecarbonitrile Openeye Name: 4-chloro-5-fluoro-2-[3-(methylamino)-1-phenyl-propoxy]benzonitrile CAS Name: 4-chloro-5-fluoro-2-[3-(methylamino)-1-phenylpropoxy]benzonitrile IUPAC Name: 4-chloro-5-fluoro-2-[3-(methylamino)-1-phenylpropoxy]benzonitrile Traditional Name: 4-chloro-5-fluoro-2-[3-(methylamino)-1-phenyl-propoxy]benzonitrile Formula: C17H16ClFN2O MolecularWeight: 318.773143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClFN2O/c1-21-8-7-16(12-5-3-2-4-6-12)22-17-10-14(18)15(19)9-13(17)11-20/h2-6,9-10,16,21H,7-8H2,1H3