4-[5-(4-bromophenyl)-3-(4-dimethylaminophenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-(4-bromophenyl)-3-(4-dimethylaminophenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(4-bromophenyl)-3-(4-dimethylaminophenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[5-(4-bromophenyl)-3-(4-dimethylaminophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[5-(4-bromophenyl)-3-(4-dimethylaminophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[3-(4-bromophenyl)-5-(4-dimethylaminophenyl)-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C21H22BrN3O3 MolecularWeight: 444.32168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2CC(=NN2C(=O)CCC(=O)O)C3=CC=C(C=C3)Br

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2CC(=NN2C(=O)CCC(=O)O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrN3O3/c1-24(2)17-9-5-15(6-10-17)19-13-18(14-3-7-16(22)8-4-14)23-25(19)20(26)11-12-21(27)28/h3-10,19H,11-13H2,1-2H3,(H,27,28)