4-[5-(6-methylpyridin-3-yl)-2-phenyl-3,4-dihydropyrazol-3-yl]benzoic acid

Systemtic Name: 4-[5-(6-methylpyridin-3-yl)-2-phenyl-3,4-dihydropyrazol-3-yl]benzoic acid Openeye Name: 4-[5-(6-methyl-3-pyridyl)-2-phenyl-3,4-dihydropyrazol-3-yl]benzoic acid CAS Name: 4-[5-(6-methyl-3-pyridinyl)-2-phenyl-3,4-dihydropyrazol-3-yl]benzoic acid IUPAC Name: 4-[5-(6-methylpyridin-3-yl)-2-phenyl-3,4-dihydropyrazol-3-yl]benzoic acid Traditional Name: 4-[5-(6-methyl-3-pyridyl)-2-phenyl-2-pyrazolin-3-yl]benzoic acid Formula: C22H19N3O2 MolecularWeight: 357.40516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=NC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C22H19N3O2/c1-15-7-8-18(14-23-15)20-13-21(16-9-11-17(12-10-16)22(26)27)25(24-20)19-5-3-2-4-6-19/h2-12,14,21H,13H2,1H3,(H,26,27)