5-chloranyl-2-[[5-methyl-2-(2-methylphenyl)-4-quinoxalin-6-yl-pyrazol-3-yl]amino]benzoic acid

Systemtic Name: 5-chloranyl-2-[[5-methyl-2-(2-methylphenyl)-4-quinoxalin-6-yl-pyrazol-3-yl]amino]benzoic acid Openeye Name: 5-chloro-2-[[5-methyl-2-(o-tolyl)-4-quinoxalin-6-yl-pyrazol-3-yl]amino]benzoic acid CAS Name: 5-chloro-2-[[5-methyl-2-(2-methylphenyl)-4-(6-quinoxalinyl)-3-pyrazolyl]amino]benzoic acid IUPAC Name: 5-chloro-2-[[5-methyl-2-(2-methylphenyl)-4-quinoxalin-6-ylpyrazol-3-yl]amino]benzoic acid Traditional Name: 5-chloro-2-[[5-methyl-2-(o-tolyl)-4-quinoxalin-6-yl-pyrazol-3-yl]amino]benzoic acid Formula: C26H20ClN5O2 MolecularWeight: 469.9223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C(=N2)C)C3=CC4=NC=CN=C4C=C3)NC5=C(C=C(C=C5)Cl)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C(=N2)C)C3=CC4=NC=CN=C4C=C3)NC5=C(C=C(C=C5)Cl)C(=O)O

InChI

InChI=1S/C26H20ClN5O2/c1-15-5-3-4-6-23(15)32-25(30-20-10-8-18(27)14-19(20)26(33)34)24(16(2)31-32)17-7-9-21-22(13-17)29-12-11-28-21/h3-14,30H,1-2H3,(H,33,34)