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

Systemtic Name: 5-[5-(4-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[5-(4-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoic acid CAS Name: 5-[5-(4-bromophenyl)-3-(1,3-diphenyl-4-pyrazolyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid IUPAC Name: 5-[5-(4-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid Traditional Name: 5-[3-(4-bromophenyl)-5-(1,3-diphenylpyrazol-4-yl)-2-pyrazolin-1-yl]-5-keto-valeric acid Formula: C29H25BrN4O3 MolecularWeight: 557.4378

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=C(C=C2)Br)C(=O)CCCC(=O)O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C(N(N=C1C2=CC=C(C=C2)Br)C(=O)CCCC(=O)O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H25BrN4O3/c30-22-16-14-20(15-17-22)25-18-26(34(31-25)27(35)12-7-13-28(36)37)24-19-33(23-10-5-2-6-11-23)32-29(24)21-8-3-1-4-9-21/h1-6,8-11,14-17,19,26H,7,12-13,18H2,(H,36,37)