3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(5-oxidanylidene-2-phenyl-piperazin-1-yl)propanenitrile

Systemtic Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(5-oxidanylidene-2-phenyl-piperazin-1-yl)propanenitrile Openeye Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(5-oxo-2-phenyl-piperazin-1-yl)propanenitrile CAS Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(5-oxo-2-phenyl-1-piperazinyl)propanenitrile IUPAC Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(5-oxo-2-phenylpiperazin-1-yl)propanenitrile Traditional Name: 3-[3,5-bis(trifluoromethyl)benzyl]oxy-2-(5-keto-2-phenyl-piperazino)propionitrile Formula: C22H19F6N3O2 MolecularWeight: 471.395579

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC(=O)N1)C(COCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C#N)C3=CC=CC=C3

Isomeric SMILES

C1C(N(CC(=O)N1)C(COCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C#N)C3=CC=CC=C3

InChI

InChI=1S/C22H19F6N3O2/c23-21(24,25)16-6-14(7-17(8-16)22(26,27)28)12-33-13-18(9-29)31-11-20(32)30-10-19(31)15-4-2-1-3-5-15/h1-8,18-19H,10-13H2,(H,30,32)