N-butyl-4-[5,6-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-butyl-4-[5,6-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-butyl-4-[5,6-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-butyl-4-[5,6-dimethyl-2-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-butyl-4-[5,6-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-butyl-4-[5,6-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxamide Formula: C22H28F3N5O MolecularWeight: 435.48583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCN(CC1)C2=NC(=NC(=C2C)C)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCCCNC(=O)N1CCN(CC1)C2=NC(=NC(=C2C)C)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C22H28F3N5O/c1-4-5-9-26-21(31)30-12-10-29(11-13-30)20-15(2)16(3)27-19(28-20)17-7-6-8-18(14-17)22(23,24)25/h6-8,14H,4-5,9-13H2,1-3H3,(H,26,31)