N-tert-butyl-4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-tert-butyl-4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-tert-butyl-4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-tert-butyl-4-[6-methyl-2-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-tert-butyl-4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-tert-butyl-4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxamide Formula: C21H26F3N5O MolecularWeight: 421.45925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C2=CC(=CC=C2)C(F)(F)F)N3CCN(CC3)C(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC(=NC(=N1)C2=CC(=CC=C2)C(F)(F)F)N3CCN(CC3)C(=O)NC(C)(C)C

InChI

InChI=1S/C21H26F3N5O/c1-14-12-17(28-8-10-29(11-9-28)19(30)27-20(2,3)4)26-18(25-14)15-6-5-7-16(13-15)21(22,23)24/h5-7,12-13H,8-11H2,1-4H3,(H,27,30)