4-(4-quinolin-4-ylpyrazol-1-yl)benzoic acid

Systemtic Name: 4-(4-quinolin-4-ylpyrazol-1-yl)benzoic acid Openeye Name: 4-[4-(4-quinolyl)pyrazol-1-yl]benzoic acid CAS Name: 4-[4-(4-quinolinyl)-1-pyrazolyl]benzoic acid IUPAC Name: 4-(4-quinolin-4-ylpyrazol-1-yl)benzoic acid Traditional Name: 4-[4-(4-quinolyl)pyrazol-1-yl]benzoic acid Formula: C19H13N3O2 MolecularWeight: 315.32542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=N2)C3=CN(N=C3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=N2)C3=CN(N=C3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C19H13N3O2/c23-19(24)13-5-7-15(8-6-13)22-12-14(11-21-22)16-9-10-20-18-4-2-1-3-17(16)18/h1-12H,(H,23,24)