5-[3-(4-dimethylaminophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[3-(4-dimethylaminophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[3-(4-dimethylaminophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzene-1,3-dicarboxylic acid CAS Name: 5-[3-(4-dimethylaminophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[3-(4-dimethylaminophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[5-(4-dimethylaminophenyl)-3-phenyl-2-pyrazolin-1-yl]isophthalic acid Formula: C25H23N3O4 MolecularWeight: 429.46782

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2CC(=NN2C3=CC(=CC(=C3)C(=O)O)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2CC(=NN2C3=CC(=CC(=C3)C(=O)O)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3O4/c1-27(2)20-10-8-17(9-11-20)23-15-22(16-6-4-3-5-7-16)26-28(23)21-13-18(24(29)30)12-19(14-21)25(31)32/h3-14,23H,15H2,1-2H3,(H,29,30)(H,31,32)