2-[3-fluoranyl-4-(2-methylbutoxy)phenyl]-5-(4-nonylphenyl)pyrazine

Systemtic Name: 2-[3-fluoranyl-4-(2-methylbutoxy)phenyl]-5-(4-nonylphenyl)pyrazine Openeye Name: 2-[3-fluoro-4-(2-methylbutoxy)phenyl]-5-(4-nonylphenyl)pyrazine CAS Name: 2-[3-fluoro-4-(2-methylbutoxy)phenyl]-5-(4-nonylphenyl)pyrazine IUPAC Name: 2-[3-fluoro-4-(2-methylbutoxy)phenyl]-5-(4-nonylphenyl)pyrazine Traditional Name: 2-[3-fluoro-4-(2-methylbutoxy)phenyl]-5-(4-nonylphenyl)pyrazine Formula: C30H39FN2O MolecularWeight: 462.641863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C3=CC(=C(C=C3)OCC(C)CC)F

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C3=CC(=C(C=C3)OCC(C)CC)F

InChI

InChI=1S/C30H39FN2O/c1-4-6-7-8-9-10-11-12-24-13-15-25(16-14-24)28-20-33-29(21-32-28)26-17-18-30(27(31)19-26)34-22-23(3)5-2/h13-21,23H,4-12,22H2,1-3H3