2-[4-[(E)-3-(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(E)-3-(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-(3-fluoro-4-pyrrolidin-1-yl-phenyl)-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]acetonitrile CAS Name: 2-[4-[(E)-3-[3-fluoro-4-(1-pyrrolidinyl)phenyl]-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-(3-fluoro-4-pyrrolidino-phenyl)-3-keto-prop-1-enyl]-2-methoxy-phenoxy]acetonitrile Formula: C22H21FN2O3 MolecularWeight: 380.412143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)C2=CC(=C(C=C2)N3CCCC3)F)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC(=C(C=C2)N3CCCC3)F)OCC#N

InChI

InChI=1S/C22H21FN2O3/c1-27-22-14-16(5-9-21(22)28-13-10-24)4-8-20(26)17-6-7-19(18(23)15-17)25-11-2-3-12-25/h4-9,14-15H,2-3,11-13H2,1H3/b8-4+