3-[[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzoic acid

Systemtic Name: 3-[[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzoic acid Openeye Name: 3-[[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzoic acid CAS Name: 3-[[3-(3,5-dimethyl-1-pyrazolyl)-2-quinoxalinyl]amino]benzoic acid IUPAC Name: 3-[[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzoic acid Traditional Name: 3-[[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzoic acid Formula: C20H17N5O2 MolecularWeight: 359.38128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=CC=CC=C3N=C2NC4=CC=CC(=C4)C(=O)O)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=CC=CC=C3N=C2NC4=CC=CC(=C4)C(=O)O)C

InChI

InChI=1S/C20H17N5O2/c1-12-10-13(2)25(24-12)19-18(22-16-8-3-4-9-17(16)23-19)21-15-7-5-6-14(11-15)20(26)27/h3-11H,1-2H3,(H,21,22)(H,26,27)