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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC(C(N1CC#N)C2=CC=CC=C2)COCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1C(=O)NC(C(N1CC#N)C2=CC=CC=C2)COCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

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