4-[2-(3-fluorophenyl)-5-propoxy-phenyl]benzenecarbonitrile

Systemtic Name: 4-[2-(3-fluorophenyl)-5-propoxy-phenyl]benzenecarbonitrile Openeye Name: 4-[2-(3-fluorophenyl)-5-propoxy-phenyl]benzonitrile CAS Name: 4-[2-(3-fluorophenyl)-5-propoxyphenyl]benzonitrile IUPAC Name: 4-[2-(3-fluorophenyl)-5-propoxyphenyl]benzonitrile Traditional Name: 4-[2-(3-fluorophenyl)-5-propoxy-phenyl]benzonitrile Formula: C22H18FNO MolecularWeight: 331.382823

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)C2=CC(=CC=C2)F)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCOC1=CC(=C(C=C1)C2=CC(=CC=C2)F)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H18FNO/c1-2-12-25-20-10-11-21(18-4-3-5-19(23)13-18)22(14-20)17-8-6-16(15-24)7-9-17/h3-11,13-14H,2,12H2,1H3