7-[2-oxidanylidene-5-[3-oxidanyl-4-[3-(trifluoromethyl)phenyl]butyl]pyrrolidin-1-yl]heptanenitrile

Systemtic Name: 7-[2-oxidanylidene-5-[3-oxidanyl-4-[3-(trifluoromethyl)phenyl]butyl]pyrrolidin-1-yl]heptanenitrile Openeye Name: 7-[2-[3-hydroxy-4-[3-(trifluoromethyl)phenyl]butyl]-5-oxo-pyrrolidin-1-yl]heptanenitrile CAS Name: 7-[2-[3-hydroxy-4-[3-(trifluoromethyl)phenyl]butyl]-5-oxo-1-pyrrolidinyl]heptanenitrile IUPAC Name: 7-[2-[3-hydroxy-4-[3-(trifluoromethyl)phenyl]butyl]-5-oxopyrrolidin-1-yl]heptanenitrile Traditional Name: 7-[2-[3-hydroxy-4-[3-(trifluoromethyl)phenyl]butyl]-5-keto-pyrrolidino]enanthonitrile Formula: C22H29F3N2O2 MolecularWeight: 410.47307

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1CCC(CC2=CC(=CC=C2)C(F)(F)F)O)CCCCCCC#N

Isomeric SMILES

C1CC(=O)N(C1CCC(CC2=CC(=CC=C2)C(F)(F)F)O)CCCCCCC#N

InChI

InChI=1S/C22H29F3N2O2/c23-22(24,25)18-8-6-7-17(15-18)16-20(28)11-9-19-10-12-21(29)27(19)14-5-3-1-2-4-13-26/h6-8,15,19-20,28H,1-5,9-12,14,16H2