1-[5-[[2-bromanyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidin-2-yl]carbonylpyrrolidine-2-carbonitrile

Systemtic Name: 1-[5-[[2-bromanyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidin-2-yl]carbonylpyrrolidine-2-carbonitrile Openeye Name: 1-[5-[[2-bromo-4-(trifluoromethyl)phenoxy]methyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile CAS Name: 1-[[5-[[2-bromo-4-(trifluoromethyl)phenoxy]methyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarbonitrile IUPAC Name: 1-[5-[[2-bromo-4-(trifluoromethyl)phenoxy]methyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile Traditional Name: 1-[5-[[2-bromo-4-(trifluoromethyl)phenoxy]methyl]prolyl]pyrrolidine-2-carbonitrile Formula: C18H19BrF3N3O2 MolecularWeight: 446.26157

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCC(N2)COC3=C(C=C(C=C3)C(F)(F)F)Br)C#N

Isomeric SMILES

C1CC(N(C1)C(=O)C2CCC(N2)COC3=C(C=C(C=C3)C(F)(F)F)Br)C#N

InChI

InChI=1S/C18H19BrF3N3O2/c19-14-8-11(18(20,21)22)3-6-16(14)27-10-12-4-5-15(24-12)17(26)25-7-1-2-13(25)9-23/h3,6,8,12-13,15,24H,1-2,4-5,7,10H2