5-fluoranyl-3,3-dimethyl-2-[(E)-3-phenylprop-2-enyl]-1-quinolin-3-yl-1,4-dihydroisoquinoline

Systemtic Name: 5-fluoranyl-3,3-dimethyl-2-[(E)-3-phenylprop-2-enyl]-1-quinolin-3-yl-1,4-dihydroisoquinoline Openeye Name: 2-[(E)-cinnamyl]-5-fluoro-3,3-dimethyl-1-(3-quinolyl)-1,4-dihydroisoquinoline CAS Name: 5-fluoro-3,3-dimethyl-2-[(E)-3-phenylprop-2-enyl]-1-(3-quinolinyl)-1,4-dihydroisoquinoline IUPAC Name: 5-fluoro-3,3-dimethyl-2-[(E)-3-phenylprop-2-enyl]-1-quinolin-3-yl-1,4-dihydroisoquinoline Traditional Name: 2-[(E)-cinnamyl]-5-fluoro-3,3-dimethyl-1-(3-quinolyl)-1,4-dihydroisoquinoline Formula: C29H27FN2 MolecularWeight: 422.536483

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=CC=C2F)C(N1CC=CC3=CC=CC=C3)C4=CC5=CC=CC=C5N=C4)C

Isomeric SMILES

CC1(CC2=C(C=CC=C2F)C(N1C/C=C/C3=CC=CC=C3)C4=CC5=CC=CC=C5N=C4)C

InChI

InChI=1S/C29H27FN2/c1-29(2)19-25-24(14-8-15-26(25)30)28(23-18-22-13-6-7-16-27(22)31-20-23)32(29)17-9-12-21-10-4-3-5-11-21/h3-16,18,20,28H,17,19H2,1-2H3/b12-9+