(2S)-2-phenyl-2-[4-[4-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]ethanenitrile

Systemtic Name: (2S)-2-phenyl-2-[4-[4-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]ethanenitrile Openeye Name: (2S)-2-phenyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetonitrile CAS Name: (2S)-2-[4-[oxo-[4-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-2-phenylacetonitrile IUPAC Name: (2S)-2-phenyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetonitrile Traditional Name: (2S)-2-phenyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazino]acetonitrile Formula: C20H18F3N3O MolecularWeight: 373.37163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C#N)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1[C@H](C#N)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H18F3N3O/c21-20(22,23)17-8-6-16(7-9-17)19(27)26-12-10-25(11-13-26)18(14-24)15-4-2-1-3-5-15/h1-9,18H,10-13H2/t18-/m1/s1