3-[(E)-2-[5-(4-fluorophenyl)-3-propan-2-yl-1-quinolin-2-yl-pyrazol-4-yl]ethenyl]-4-oxidanyl-oxan-2-one

Systemtic Name: 3-[(E)-2-[5-(4-fluorophenyl)-3-propan-2-yl-1-quinolin-2-yl-pyrazol-4-yl]ethenyl]-4-oxidanyl-oxan-2-one Openeye Name: 3-[(E)-2-[5-(4-fluorophenyl)-3-isopropyl-1-(2-quinolyl)pyrazol-4-yl]vinyl]-4-hydroxy-tetrahydropyran-2-one CAS Name: 3-[(E)-2-[5-(4-fluorophenyl)-3-propan-2-yl-1-(2-quinolinyl)-4-pyrazolyl]ethenyl]-4-hydroxy-2-oxanone IUPAC Name: 3-[(E)-2-[5-(4-fluorophenyl)-3-propan-2-yl-1-quinolin-2-ylpyrazol-4-yl]ethenyl]-4-hydroxyoxan-2-one Traditional Name: 3-[(E)-2-[5-(4-fluorophenyl)-3-isopropyl-1-(2-quinolyl)pyrazol-4-yl]vinyl]-4-hydroxy-tetrahydropyran-2-one Formula: C28H26FN3O3 MolecularWeight: 471.522743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(=C1C=CC2C(CCOC2=O)O)C3=CC=C(C=C3)F)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CC(C)C1=NN(C(=C1/C=C/C2C(CCOC2=O)O)C3=CC=C(C=C3)F)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H26FN3O3/c1-17(2)26-22(13-12-21-24(33)15-16-35-28(21)34)27(19-7-10-20(29)11-8-19)32(31-26)25-14-9-18-5-3-4-6-23(18)30-25/h3-14,17,21,24,33H,15-16H2,1-2H3/b13-12+