(3S)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-2,3-dihydrophenalen-1-one

Systemtic Name: (3S)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-2,3-dihydrophenalen-1-one Openeye Name: (3S)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-2,3-dihydrophenalen-1-one CAS Name: (3S)-3-[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]-2,3-dihydrophenalen-1-one IUPAC Name: (3S)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-2,3-dihydrophenalen-1-one Traditional Name: (3S)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-2,3-dihydrophenalen-1-one Formula: C28H19FN2O MolecularWeight: 418.461663

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC3=C2C(=CC=C3)C1=O)C4=CN(N=C4C5=CC=C(C=C5)F)C6=CC=CC=C6

Isomeric SMILES

C1[C@@H](C2=CC=CC3=C2C(=CC=C3)C1=O)C4=CN(N=C4C5=CC=C(C=C5)F)C6=CC=CC=C6

InChI

InChI=1S/C28H19FN2O/c29-20-14-12-19(13-15-20)28-25(17-31(30-28)21-8-2-1-3-9-21)24-16-26(32)23-11-5-7-18-6-4-10-22(24)27(18)23/h1-15,17,24H,16H2/t24-/m0/s1