1-[(3S)-5-(4-bromophenyl)-3-(4-fluorophenyl)-1,3-dihydropyrazol-2-yl]propan-1-one

Systemtic Name: 1-[(3S)-5-(4-bromophenyl)-3-(4-fluorophenyl)-1,3-dihydropyrazol-2-yl]propan-1-one Openeye Name: 1-[(3S)-5-(4-bromophenyl)-3-(4-fluorophenyl)-1,3-dihydropyrazol-2-yl]propan-1-one CAS Name: 1-[(3S)-5-(4-bromophenyl)-3-(4-fluorophenyl)-1,3-dihydropyrazol-2-yl]-1-propanone IUPAC Name: 1-[(3S)-5-(4-bromophenyl)-3-(4-fluorophenyl)-1,3-dihydropyrazol-2-yl]propan-1-one Traditional Name: 1-[(5S)-3-(4-bromophenyl)-5-(4-fluorophenyl)-3-pyrazolin-1-yl]propan-1-one Formula: C18H16BrFN2O MolecularWeight: 375.234843

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(C=C(N1)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)F

Isomeric SMILES

CCC(=O)N1[C@@H](C=C(N1)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H16BrFN2O/c1-2-18(23)22-17(13-5-9-15(20)10-6-13)11-16(21-22)12-3-7-14(19)8-4-12/h3-11,17,21H,2H2,1H3/t17-/m0/s1