3-(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile

Systemtic Name: 3-(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile Openeye Name: 3-(5-fluoro-2-methyl-4-pyrrolidin-1-yl-phenyl)-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile CAS Name: 3-[5-fluoro-2-methyl-4-(1-pyrrolidinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-2-propenenitrile IUPAC Name: 3-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile Traditional Name: 3-(5-fluoro-2-methyl-4-pyrrolidino-phenyl)-2-[3-(trifluoromethyl)phenyl]acrylonitrile Formula: C21H18F4N2 MolecularWeight: 374.374633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=C(C#N)C2=CC(=CC=C2)C(F)(F)F)F)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1C=C(C#N)C2=CC(=CC=C2)C(F)(F)F)F)N3CCCC3

InChI

InChI=1S/C21H18F4N2/c1-14-9-20(27-7-2-3-8-27)19(22)12-16(14)10-17(13-26)15-5-4-6-18(11-15)21(23,24)25/h4-6,9-12H,2-3,7-8H2,1H3