1-[3-[(1S)-1-(3-fluoranyl-4-phenyl-phenoxy)ethyl]pyrazol-1-yl]pentan-1-one

Systemtic Name: 1-[3-[(1S)-1-(3-fluoranyl-4-phenyl-phenoxy)ethyl]pyrazol-1-yl]pentan-1-one Openeye Name: 1-[3-[(1S)-1-(3-fluoro-4-phenyl-phenoxy)ethyl]pyrazol-1-yl]pentan-1-one CAS Name: 1-[3-[(1S)-1-(3-fluoro-4-phenylphenoxy)ethyl]-1-pyrazolyl]-1-pentanone IUPAC Name: 1-[3-[(1S)-1-(3-fluoro-4-phenylphenoxy)ethyl]pyrazol-1-yl]pentan-1-one Traditional Name: 1-[3-[(1S)-1-(3-fluoro-4-phenyl-phenoxy)ethyl]pyrazol-1-yl]pentan-1-one Formula: C22H23FN2O2 MolecularWeight: 366.428623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1C=CC(=N1)C(C)OC2=CC(=C(C=C2)C3=CC=CC=C3)F

Isomeric SMILES

CCCCC(=O)N1C=CC(=N1)[C@H](C)OC2=CC(=C(C=C2)C3=CC=CC=C3)F

InChI

InChI=1S/C22H23FN2O2/c1-3-4-10-22(26)25-14-13-21(24-25)16(2)27-18-11-12-19(20(23)15-18)17-8-6-5-7-9-17/h5-9,11-16H,3-4,10H2,1-2H3/t16-/m0/s1