(4-bromophenyl)-[(3S,4R)-2,3,5-triphenyl-3,4-dihydropyrazol-4-yl]methanone

Systemtic Name: (4-bromophenyl)-[(3S,4R)-2,3,5-triphenyl-3,4-dihydropyrazol-4-yl]methanone Openeye Name: (4-bromophenyl)-[(3S,4R)-2,3,5-triphenyl-3,4-dihydropyrazol-4-yl]methanone CAS Name: (4-bromophenyl)-[(3S,4R)-2,3,5-triphenyl-3,4-dihydropyrazol-4-yl]methanone IUPAC Name: (4-bromophenyl)-[(3S,4R)-2,3,5-triphenyl-3,4-dihydropyrazol-4-yl]methanone Traditional Name: (4-bromophenyl)-[(4R,5S)-1,3,5-triphenyl-2-pyrazolin-4-yl]methanone Formula: C28H21BrN2O MolecularWeight: 481.38314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C(=NN2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]2[C@H](C(=NN2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C28H21BrN2O/c29-23-18-16-22(17-19-23)28(32)25-26(20-10-4-1-5-11-20)30-31(24-14-8-3-9-15-24)27(25)21-12-6-2-7-13-21/h1-19,25,27H/t25-,27+/m0/s1