N-(2-cyano-3-methyl-butan-2-yl)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethanamide

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]acetamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]acetamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]acetamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]acetamide Formula: C18H24F3N5O MolecularWeight: 383.41127

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CN1CCN(CC1)C2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)CN1CCN(CC1)C2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C18H24F3N5O/c1-13(2)17(3,12-22)24-16(27)11-25-6-8-26(9-7-25)15-5-4-14(10-23-15)18(19,20)21/h4-5,10,13H,6-9,11H2,1-3H3,(H,24,27)