2-[4-[2-[4-(1-chloranylethenyl)cyclohexyl]ethynyl]-3,5-bis(fluoranyl)phenyl]-5-pentyl-pyrimidine

Systemtic Name: 2-[4-[2-[4-(1-chloranylethenyl)cyclohexyl]ethynyl]-3,5-bis(fluoranyl)phenyl]-5-pentyl-pyrimidine Openeye Name: 2-[4-[2-[4-(1-chlorovinyl)cyclohexyl]ethynyl]-3,5-difluoro-phenyl]-5-pentyl-pyrimidine CAS Name: 2-[4-[2-[4-(1-chloroethenyl)cyclohexyl]ethynyl]-3,5-difluorophenyl]-5-pentylpyrimidine IUPAC Name: 2-[4-[2-[4-(1-chloroethenyl)cyclohexyl]ethynyl]-3,5-difluorophenyl]-5-pentylpyrimidine Traditional Name: 5-amyl-2-[4-[2-[4-(1-chlorovinyl)cyclohexyl]ethynyl]-3,5-difluoro-phenyl]pyrimidine Formula: C25H27ClF2N2 MolecularWeight: 428.945086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2=CC(=C(C(=C2)F)C#CC3CCC(CC3)C(=C)Cl)F

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2=CC(=C(C(=C2)F)C#CC3CCC(CC3)C(=C)Cl)F

InChI

InChI=1S/C25H27ClF2N2/c1-3-4-5-6-19-15-29-25(30-16-19)21-13-23(27)22(24(28)14-21)12-9-18-7-10-20(11-8-18)17(2)26/h13-16,18,20H,2-8,10-11H2,1H3