2-(4-chloranyl-3-fluoranyl-phenyl)-5-[2-(4-pentylcyclohexyl)ethynyl]pyrimidine

Systemtic Name: 2-(4-chloranyl-3-fluoranyl-phenyl)-5-[2-(4-pentylcyclohexyl)ethynyl]pyrimidine Openeye Name: 2-(4-chloro-3-fluoro-phenyl)-5-[2-(4-pentylcyclohexyl)ethynyl]pyrimidine CAS Name: 2-(4-chloro-3-fluorophenyl)-5-[2-(4-pentylcyclohexyl)ethynyl]pyrimidine IUPAC Name: 2-(4-chloro-3-fluorophenyl)-5-[2-(4-pentylcyclohexyl)ethynyl]pyrimidine Traditional Name: 5-[2-(4-amylcyclohexyl)ethynyl]-2-(4-chloro-3-fluoro-phenyl)pyrimidine Formula: C23H26ClFN2 MolecularWeight: 384.917343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C#CC2=CN=C(N=C2)C3=CC(=C(C=C3)Cl)F

Isomeric SMILES

CCCCCC1CCC(CC1)C#CC2=CN=C(N=C2)C3=CC(=C(C=C3)Cl)F

InChI

InChI=1S/C23H26ClFN2/c1-2-3-4-5-17-6-8-18(9-7-17)10-11-19-15-26-23(27-16-19)20-12-13-21(24)22(25)14-20/h12-18H,2-9H2,1H3