3-oxidanylidene-3-[1-(phenylmethyl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]propanenitrile

Systemtic Name: 3-oxidanylidene-3-[1-(phenylmethyl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]propanenitrile Openeye Name: 3-(1-benzyl-4-piperidyl)-3-oxo-2-[3-(trifluoromethyl)phenyl]propanenitrile CAS Name: 3-oxo-3-[1-(phenylmethyl)-4-piperidinyl]-2-[3-(trifluoromethyl)phenyl]propanenitrile IUPAC Name: 3-(1-benzylpiperidin-4-yl)-3-oxo-2-[3-(trifluoromethyl)phenyl]propanenitrile Traditional Name: 3-(1-benzyl-4-piperidyl)-3-keto-2-[3-(trifluoromethyl)phenyl]propionitrile Formula: C22H21F3N2O MolecularWeight: 386.41015

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C(C#N)C2=CC(=CC=C2)C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)C(C#N)C2=CC(=CC=C2)C(F)(F)F)CC3=CC=CC=C3

InChI

InChI=1S/C22H21F3N2O/c23-22(24,25)19-8-4-7-18(13-19)20(14-26)21(28)17-9-11-27(12-10-17)15-16-5-2-1-3-6-16/h1-8,13,17,20H,9-12,15H2