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

Systemtic Name: 4-[2-cyano-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]-3-methyl-piperazine-1-carboxamide Openeye Name: 4-[2-cyano-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]-3-methyl-piperazine-1-carboxamide CAS Name: 4-[2-cyano-6-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]-3-methyl-1-piperazinecarboxamide IUPAC Name: 4-[2-cyano-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]-3-methylpiperazine-1-carboxamide Traditional Name: 4-[2-cyano-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]-3-methyl-piperazine-1-carboxamide Formula: C18H17F3N6O MolecularWeight: 390.36239

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=NC(=NC(=C2)C3=CC(=CC=C3)C(F)(F)F)C#N)C(=O)N

Isomeric SMILES

CC1CN(CCN1C2=NC(=NC(=C2)C3=CC(=CC=C3)C(F)(F)F)C#N)C(=O)N

InChI

InChI=1S/C18H17F3N6O/c1-11-10-26(17(23)28)5-6-27(11)16-8-14(24-15(9-22)25-16)12-3-2-4-13(7-12)18(19,20)21/h2-4,7-8,11H,5-6,10H2,1H3,(H2,23,28)