2-[[4-(8-fluoranylquinoxalin-6-yl)-5-methyl-2-(2-methylphenyl)pyrazol-3-yl]amino]benzoic acid

Systemtic Name: 2-[[4-(8-fluoranylquinoxalin-6-yl)-5-methyl-2-(2-methylphenyl)pyrazol-3-yl]amino]benzoic acid Openeye Name: 2-[[4-(8-fluoroquinoxalin-6-yl)-5-methyl-2-(o-tolyl)pyrazol-3-yl]amino]benzoic acid CAS Name: 2-[[4-(8-fluoro-6-quinoxalinyl)-5-methyl-2-(2-methylphenyl)-3-pyrazolyl]amino]benzoic acid IUPAC Name: 2-[[4-(8-fluoroquinoxalin-6-yl)-5-methyl-2-(2-methylphenyl)pyrazol-3-yl]amino]benzoic acid Traditional Name: 2-[[4-(8-fluoroquinoxalin-6-yl)-5-methyl-2-(o-tolyl)pyrazol-3-yl]amino]benzoic acid Formula: C26H20FN5O2 MolecularWeight: 453.467703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C(=N2)C)C3=CC4=NC=CN=C4C(=C3)F)NC5=CC=CC=C5C(=O)O

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C(=N2)C)C3=CC4=NC=CN=C4C(=C3)F)NC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C26H20FN5O2/c1-15-7-3-6-10-22(15)32-25(30-20-9-5-4-8-18(20)26(33)34)23(16(2)31-32)17-13-19(27)24-21(14-17)28-11-12-29-24/h3-14,30H,1-2H3,(H,33,34)