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

Systemtic Name: 1-[(3S)-3-(4-bromophenyl)-5-(5-methylfuran-2-yl)-1,3-dihydropyrazol-2-yl]propan-1-one Openeye Name: 1-[(3S)-3-(4-bromophenyl)-5-(5-methyl-2-furyl)-1,3-dihydropyrazol-2-yl]propan-1-one CAS Name: 1-[(3S)-3-(4-bromophenyl)-5-(5-methyl-2-furanyl)-1,3-dihydropyrazol-2-yl]-1-propanone IUPAC Name: 1-[(3S)-3-(4-bromophenyl)-5-(5-methylfuran-2-yl)-1,3-dihydropyrazol-2-yl]propan-1-one Traditional Name: 1-[(5S)-5-(4-bromophenyl)-3-(5-methyl-2-furyl)-3-pyrazolin-1-yl]propan-1-one Formula: C17H17BrN2O2 MolecularWeight: 361.23308

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(C=C(N1)C2=CC=C(O2)C)C3=CC=C(C=C3)Br

Isomeric SMILES

CCC(=O)N1[C@@H](C=C(N1)C2=CC=C(O2)C)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H17BrN2O2/c1-3-17(21)20-15(12-5-7-13(18)8-6-12)10-14(19-20)16-9-4-11(2)22-16/h4-10,15,19H,3H2,1-2H3/t15-/m0/s1