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

Systemtic Name: 1-[(3S)-5-(4-bromophenyl)-3-phenyl-1,3-dihydropyrazol-2-yl]propan-1-one Openeye Name: 1-[(3S)-5-(4-bromophenyl)-3-phenyl-1,3-dihydropyrazol-2-yl]propan-1-one CAS Name: 1-[(3S)-5-(4-bromophenyl)-3-phenyl-1,3-dihydropyrazol-2-yl]-1-propanone IUPAC Name: 1-[(3S)-5-(4-bromophenyl)-3-phenyl-1,3-dihydropyrazol-2-yl]propan-1-one Traditional Name: 1-[(5S)-3-(4-bromophenyl)-5-phenyl-3-pyrazolin-1-yl]propan-1-one Formula: C18H17BrN2O MolecularWeight: 357.24438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN2O/c1-2-18(22)21-17(14-6-4-3-5-7-14)12-16(20-21)13-8-10-15(19)11-9-13/h3-12,17,20H,2H2,1H3/t17-/m0/s1