5-chloranyl-2-[[5-ethyl-4-(6-methoxypyridin-3-yl)-2-pyridin-4-yl-pyrazol-3-yl]amino]benzoic acid

Systemtic Name: 5-chloranyl-2-[[5-ethyl-4-(6-methoxypyridin-3-yl)-2-pyridin-4-yl-pyrazol-3-yl]amino]benzoic acid Openeye Name: 5-chloro-2-[[5-ethyl-4-(6-methoxy-3-pyridyl)-2-(4-pyridyl)pyrazol-3-yl]amino]benzoic acid CAS Name: 5-chloro-2-[[5-ethyl-4-(6-methoxy-3-pyridinyl)-2-pyridin-4-yl-3-pyrazolyl]amino]benzoic acid IUPAC Name: 5-chloro-2-[[5-ethyl-4-(6-methoxypyridin-3-yl)-2-pyridin-4-ylpyrazol-3-yl]amino]benzoic acid Traditional Name: 5-chloro-2-[[5-ethyl-4-(6-methoxy-3-pyridyl)-2-(4-pyridyl)pyrazol-3-yl]amino]benzoic acid Formula: C23H20ClN5O3 MolecularWeight: 449.8896

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1C2=CN=C(C=C2)OC)NC3=C(C=C(C=C3)Cl)C(=O)O)C4=CC=NC=C4

Isomeric SMILES

CCC1=NN(C(=C1C2=CN=C(C=C2)OC)NC3=C(C=C(C=C3)Cl)C(=O)O)C4=CC=NC=C4

InChI

InChI=1S/C23H20ClN5O3/c1-3-18-21(14-4-7-20(32-2)26-13-14)22(29(28-18)16-8-10-25-11-9-16)27-19-6-5-15(24)12-17(19)23(30)31/h4-13,27H,3H2,1-2H3,(H,30,31)