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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCN(CC1)C2=NC(=NC(=C2)C)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCCCNC(=O)N1CCN(CC1)C2=NC(=NC(=C2)C)C3=CC=C(C=C3)C(F)(F)F

InChI

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