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

Systemtic Name: 5-[3-(4-bromophenyl)-5-(4-ethylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3-(4-bromophenyl)-5-(4-ethylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoic acid CAS Name: 5-[3-(4-bromophenyl)-5-(4-ethylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid IUPAC Name: 5-[3-(4-bromophenyl)-5-(4-ethylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid Traditional Name: 5-[5-(4-bromophenyl)-3-(4-ethylphenyl)-2-pyrazolin-1-yl]-5-keto-valeric acid Formula: C22H23BrN2O3 MolecularWeight: 443.33362

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)Br)C(=O)CCCC(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)Br)C(=O)CCCC(=O)O

InChI

InChI=1S/C22H23BrN2O3/c1-2-15-6-8-16(9-7-15)19-14-20(17-10-12-18(23)13-11-17)25(24-19)21(26)4-3-5-22(27)28/h6-13,20H,2-5,14H2,1H3,(H,27,28)