N-[(E)-1-cyano-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]but-1-en-2-yl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[(E)-1-cyano-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]but-1-en-2-yl]-9H-xanthene-9-carboxamide Openeye Name: N-[(1E)-1-[cyano-[3-(trifluoromethyl)phenyl]methylene]-2,2-dimethyl-propyl]-9H-xanthene-9-carboxamide CAS Name: N-[(E)-1-cyano-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]but-1-en-2-yl]-9H-xanthene-9-carboxamide IUPAC Name: N-[(E)-1-cyano-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]but-1-en-2-yl]-9H-xanthene-9-carboxamide Traditional Name: N-[(E)-1-tert-butyl-2-cyano-2-[3-(trifluoromethyl)phenyl]vinyl]-9H-xanthene-9-carboxamide Formula: C28H23F3N2O2 MolecularWeight: 476.48963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=C(C#N)C1=CC(=CC=C1)C(F)(F)F)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

Isomeric SMILES

CC(C)(C)/C(=C(\C#N)/C1=CC(=CC=C1)C(F)(F)F)/NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

InChI

InChI=1S/C28H23F3N2O2/c1-27(2,3)25(21(16-32)17-9-8-10-18(15-17)28(29,30)31)33-26(34)24-19-11-4-6-13-22(19)35-23-14-7-5-12-20(23)24/h4-15,24H,1-3H3,(H,33,34)/b25-21-