(3S,4S,6R)-6-oxidanyl-2-oxidanylidene-4-phenyl-6-(trifluoromethyl)piperidine-3-carbonitrile

Systemtic Name: (3S,4S,6R)-6-oxidanyl-2-oxidanylidene-4-phenyl-6-(trifluoromethyl)piperidine-3-carbonitrile Openeye Name: (3S,4S,6R)-6-hydroxy-2-oxo-4-phenyl-6-(trifluoromethyl)piperidine-3-carbonitrile CAS Name: (3S,4S,6R)-6-hydroxy-2-oxo-4-phenyl-6-(trifluoromethyl)-3-piperidinecarbonitrile IUPAC Name: (3S,4S,6R)-6-hydroxy-2-oxo-4-phenyl-6-(trifluoromethyl)piperidine-3-carbonitrile Traditional Name: (3S,4S,6R)-6-hydroxy-2-keto-4-phenyl-6-(trifluoromethyl)nipecotonitrile Formula: C13H11F3N2O2 MolecularWeight: 284.23385

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=O)NC1(C(F)(F)F)O)C#N)C2=CC=CC=C2

Isomeric SMILES

C1[C@@H]([C@H](C(=O)N[C@@]1(C(F)(F)F)O)C#N)C2=CC=CC=C2

InChI

InChI=1S/C13H11F3N2O2/c14-13(15,16)12(20)6-9(8-4-2-1-3-5-8)10(7-17)11(19)18-12/h1-5,9-10,20H,6H2,(H,18,19)/t9-,10-,12-/m1/s1