4-[4-[2-oxidanyl-3-[3-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]-1-phenyl-cyclohexane-1-carbonitrile

Systemtic Name: 4-[4-[2-oxidanyl-3-[3-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]-1-phenyl-cyclohexane-1-carbonitrile Openeye Name: 4-[4-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]-1-phenyl-cyclohexanecarbonitrile CAS Name: 4-[4-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-1-piperazinyl]-1-phenyl-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]-1-phenylcyclohexane-1-carbonitrile Traditional Name: 4-[4-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]piperazino]-1-phenyl-cyclohexanecarbonitrile Formula: C27H32F3N3O2 MolecularWeight: 487.55709

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2CCN(CC2)CC(COC3=CC=CC(=C3)C(F)(F)F)O)(C#N)C4=CC=CC=C4

Isomeric SMILES

C1CC(CCC1N2CCN(CC2)CC(COC3=CC=CC(=C3)C(F)(F)F)O)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C27H32F3N3O2/c28-27(29,30)22-7-4-8-25(17-22)35-19-24(34)18-32-13-15-33(16-14-32)23-9-11-26(20-31,12-10-23)21-5-2-1-3-6-21/h1-8,17,23-24,34H,9-16,18-19H2