5-heptyl-2-[2-[4-(trifluoromethyloxy)phenyl]ethynyl]pyrimidine

Systemtic Name: 5-heptyl-2-[2-[4-(trifluoromethyloxy)phenyl]ethynyl]pyrimidine Openeye Name: 5-heptyl-2-[2-[4-(trifluoromethoxy)phenyl]ethynyl]pyrimidine CAS Name: 5-heptyl-2-[2-[4-(trifluoromethoxy)phenyl]ethynyl]pyrimidine IUPAC Name: 5-heptyl-2-[2-[4-(trifluoromethoxy)phenyl]ethynyl]pyrimidine Traditional Name: 5-heptyl-2-[2-[4-(trifluoromethoxy)phenyl]ethynyl]pyrimidine Formula: C20H21F3N2O MolecularWeight: 362.38875

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C#CC2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C#CC2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C20H21F3N2O/c1-2-3-4-5-6-7-17-14-24-19(25-15-17)13-10-16-8-11-18(12-9-16)26-20(21,22)23/h8-9,11-12,14-15H,2-7H2,1H3