2-[1-(3-fluoranylheptyl)-4-phenyl-cyclohexa-2,5-dien-1-yl]-5-octyl-pyrimidine

Systemtic Name: 2-[1-(3-fluoranylheptyl)-4-phenyl-cyclohexa-2,5-dien-1-yl]-5-octyl-pyrimidine Openeye Name: 2-[1-(3-fluoroheptyl)-4-phenyl-cyclohexa-2,5-dien-1-yl]-5-octyl-pyrimidine CAS Name: 2-[1-(3-fluoroheptyl)-4-phenyl-1-cyclohexa-2,5-dienyl]-5-octylpyrimidine IUPAC Name: 2-[1-(3-fluoroheptyl)-4-phenylcyclohexa-2,5-dien-1-yl]-5-octylpyrimidine Traditional Name: 2-[1-(3-fluoroheptyl)-4-phenyl-cyclohexa-2,5-dien-1-yl]-5-octyl-pyrimidine Formula: C31H43FN2 MolecularWeight: 462.684923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)CCC(CCCC)F

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)CCC(CCCC)F

InChI

InChI=1S/C31H43FN2/c1-3-5-7-8-9-11-14-26-24-33-30(34-25-26)31(23-20-29(32)17-6-4-2)21-18-28(19-22-31)27-15-12-10-13-16-27/h10,12-13,15-16,18-19,21-22,24-25,28-29H,3-9,11,14,17,20,23H2,1-2H3