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

Systemtic Name: 4-[5-(6-methylpyridin-3-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzoic acid Openeye Name: 4-[5-(6-methyl-3-pyridyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzoic acid CAS Name: 4-[5-(6-methyl-3-pyridinyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzoic acid IUPAC Name: 4-[5-(6-methylpyridin-3-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzoic acid Traditional Name: 4-[3-(6-methyl-3-pyridyl)-5-phenyl-2-pyrazolin-1-yl]benzoic acid Formula: C22H19N3O2 MolecularWeight: 357.40516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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