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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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