N-(2-cyano-3-methyl-butan-2-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]propanamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazino]propionamide Formula: C20H27F3N4O MolecularWeight: 396.44979

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)N1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)N1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C20H27F3N4O/c1-14(2)19(4,13-24)25-18(28)15(3)26-8-10-27(11-9-26)17-7-5-6-16(12-17)20(21,22)23/h5-7,12,14-15H,8-11H2,1-4H3,(H,25,28)