2-cyclobutyl-5-[ethyl(phenethyl)amino]-2-[2-(trifluoromethyl)phenyl]heptanenitrile

Systemtic Name: 2-cyclobutyl-5-[ethyl(phenethyl)amino]-2-[2-(trifluoromethyl)phenyl]heptanenitrile Openeye Name: 2-cyclobutyl-5-[ethyl(phenethyl)amino]-2-[2-(trifluoromethyl)phenyl]heptanenitrile CAS Name: 2-cyclobutyl-5-[ethyl(phenethyl)amino]-2-[2-(trifluoromethyl)phenyl]heptanenitrile IUPAC Name: 2-cyclobutyl-5-[ethyl(phenethyl)amino]-2-[2-(trifluoromethyl)phenyl]heptanenitrile Traditional Name: 2-cyclobutyl-5-[ethyl(phenethyl)amino]-2-[2-(trifluoromethyl)phenyl]enanthonitrile Formula: C28H35F3N2 MolecularWeight: 456.58611

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C#N)(C1CCC1)C2=CC=CC=C2C(F)(F)F)N(CC)CCC3=CC=CC=C3

Isomeric SMILES

CCC(CCC(C#N)(C1CCC1)C2=CC=CC=C2C(F)(F)F)N(CC)CCC3=CC=CC=C3

InChI

InChI=1S/C28H35F3N2/c1-3-24(33(4-2)20-18-22-11-6-5-7-12-22)17-19-27(21-32,23-13-10-14-23)25-15-8-9-16-26(25)28(29,30)31/h5-9,11-12,15-16,23-24H,3-4,10,13-14,17-20H2,1-2H3