N-(2-cyanoethyl)-4-[3-[2-(trifluoromethyloxy)phenyl]phenyl]pyrimidine-2-carboxamide

Systemtic Name: N-(2-cyanoethyl)-4-[3-[2-(trifluoromethyloxy)phenyl]phenyl]pyrimidine-2-carboxamide Openeye Name: N-(2-cyanoethyl)-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide CAS Name: N-(2-cyanoethyl)-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-2-pyrimidinecarboxamide IUPAC Name: N-(2-cyanoethyl)-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide Traditional Name: N-(2-cyanoethyl)-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide Formula: C21H15F3N4O2 MolecularWeight: 412.36461

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC(=CC=C2)C3=NC(=NC=C3)C(=O)NCCC#N)OC(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC(=CC=C2)C3=NC(=NC=C3)C(=O)NCCC#N)OC(F)(F)F

InChI

InChI=1S/C21H15F3N4O2/c22-21(23,24)30-18-8-2-1-7-16(18)14-5-3-6-15(13-14)17-9-12-26-19(28-17)20(29)27-11-4-10-25/h1-3,5-9,12-13H,4,11H2,(H,27,29)