[5-(4-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-phenyl-methanone

Systemtic Name: [5-(4-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-phenyl-methanone Openeye Name: [5-(4-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-phenyl-methanone CAS Name: [5-(4-bromophenyl)-3-(1,3-diphenyl-4-pyrazolyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone IUPAC Name: [5-(4-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-phenylmethanone Traditional Name: [3-(4-bromophenyl)-5-(1,3-diphenylpyrazol-4-yl)-2-pyrazolin-1-yl]-phenyl-methanone Formula: C31H23BrN4O MolecularWeight: 547.44452

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=C(C=C2)Br)C(=O)C3=CC=CC=C3)C4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1C(N(N=C1C2=CC=C(C=C2)Br)C(=O)C3=CC=CC=C3)C4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H23BrN4O/c32-25-18-16-22(17-19-25)28-20-29(36(33-28)31(37)24-12-6-2-7-13-24)27-21-35(26-14-8-3-9-15-26)34-30(27)23-10-4-1-5-11-23/h1-19,21,29H,20H2