1-[5-(6-bromanyl-2-methyl-4-phenyl-quinolin-3-yl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one

Systemtic Name: 1-[5-(6-bromanyl-2-methyl-4-phenyl-quinolin-3-yl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one Openeye Name: 1-[5-(6-bromo-2-methyl-4-phenyl-3-quinolyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one CAS Name: 1-[5-(6-bromo-2-methyl-4-phenyl-3-quinolinyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1-propanone IUPAC Name: 1-[5-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one Traditional Name: 1-[3-(6-bromo-2-methyl-4-phenyl-3-quinolyl)-5-(4-fluorophenyl)-2-pyrazolin-1-yl]propan-1-one Formula: C28H23BrFN3O MolecularWeight: 516.404123

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(CC(=N1)C2=C(N=C3C=CC(=CC3=C2C4=CC=CC=C4)Br)C)C5=CC=C(C=C5)F

Isomeric SMILES

CCC(=O)N1C(CC(=N1)C2=C(N=C3C=CC(=CC3=C2C4=CC=CC=C4)Br)C)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H23BrFN3O/c1-3-26(34)33-25(18-9-12-21(30)13-10-18)16-24(32-33)27-17(2)31-23-14-11-20(29)15-22(23)28(27)19-7-5-4-6-8-19/h4-15,25H,3,16H2,1-2H3