5-[4-[(E)-but-1-enyl]cyclohexyl]-2-(3-chloranyl-4-fluoranyl-phenyl)pyrimidine

Systemtic Name: 5-[4-[(E)-but-1-enyl]cyclohexyl]-2-(3-chloranyl-4-fluoranyl-phenyl)pyrimidine Openeye Name: 5-[4-[(E)-but-1-enyl]cyclohexyl]-2-(3-chloro-4-fluoro-phenyl)pyrimidine CAS Name: 5-[4-[(E)-but-1-enyl]cyclohexyl]-2-(3-chloro-4-fluorophenyl)pyrimidine IUPAC Name: 5-[4-[(E)-but-1-enyl]cyclohexyl]-2-(3-chloro-4-fluorophenyl)pyrimidine Traditional Name: 5-[4-[(E)-but-1-enyl]cyclohexyl]-2-(3-chloro-4-fluoro-phenyl)pyrimidine Formula: C20H22ClFN2 MolecularWeight: 344.853483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC=CC1CCC(CC1)C2=CN=C(N=C2)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC/C=C/C1CCC(CC1)C2=CN=C(N=C2)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H22ClFN2/c1-2-3-4-14-5-7-15(8-6-14)17-12-23-20(24-13-17)16-9-10-19(22)18(21)11-16/h3-4,9-15H,2,5-8H2,1H3/b4-3+