3-oxidanylidene-N-phenyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methylidene]butanamide

Systemtic Name: 3-oxidanylidene-N-phenyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methylidene]butanamide Openeye Name: 3-oxo-N-phenyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methylene]butanamide CAS Name: 3-oxo-N-phenyl-2-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methylidene]butanamide IUPAC Name: 3-oxo-N-phenyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methylidene]butanamide Traditional Name: 2-acetyl-N-phenyl-3-[4-[3-(trifluoromethyl)phenyl]piperazino]acrylamide Formula: C22H22F3N3O2 MolecularWeight: 417.42419

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CN1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(=O)C(=CN1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H22F3N3O2/c1-16(29)20(21(30)26-18-7-3-2-4-8-18)15-27-10-12-28(13-11-27)19-9-5-6-17(14-19)22(23,24)25/h2-9,14-15H,10-13H2,1H3,(H,26,30)