4-[5-(4-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[5-(4-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[5-(4-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-1,3-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[5-(4-bromophenyl)-3-(1,3-diphenyl-4-pyrazolyl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[5-(4-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[3-(4-bromophenyl)-5-(1,3-diphenylpyrazol-4-yl)-3-pyrazolin-1-yl]-4-keto-butyrate Formula: C28H22BrN4O3- MolecularWeight: 542.40328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C3C=C(NN3C(=O)CCC(=O)[O-])C4=CC=C(C=C4)Br)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C3C=C(NN3C(=O)CCC(=O)[O-])C4=CC=C(C=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C28H23BrN4O3/c29-21-13-11-19(12-14-21)24-17-25(33(30-24)26(34)15-16-27(35)36)23-18-32(22-9-5-2-6-10-22)31-28(23)20-7-3-1-4-8-20/h1-14,17-18,25,30H,15-16H2,(H,35,36)/p-1