4-[[1-[3,5-bis(trifluoromethyl)phenyl]carbonylpiperidin-2-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[1-[3,5-bis(trifluoromethyl)phenyl]carbonylpiperidin-2-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[1-[3,5-bis(trifluoromethyl)benzoyl]-2-piperidyl]methyl]benzonitrile CAS Name: 4-[[1-[[3,5-bis(trifluoromethyl)phenyl]-oxomethyl]-2-piperidinyl]methyl]benzonitrile IUPAC Name: 4-[[1-[3,5-bis(trifluoromethyl)benzoyl]piperidin-2-yl]methyl]benzonitrile Traditional Name: 4-[[1-[3,5-bis(trifluoromethyl)benzoyl]-2-piperidyl]methyl]benzonitrile Formula: C22H18F6N2O MolecularWeight: 440.381539

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CC2=CC=C(C=C2)C#N)C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CCN(C(C1)CC2=CC=C(C=C2)C#N)C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C22H18F6N2O/c23-21(24,25)17-10-16(11-18(12-17)22(26,27)28)20(31)30-8-2-1-3-19(30)9-14-4-6-15(13-29)7-5-14/h4-7,10-12,19H,1-3,8-9H2