2-[4-[[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]phenyl]ethanoic acid Openeye Name: 2-[4-[[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]phenyl]acetic acid CAS Name: 2-[4-[[3-(3,5-dimethyl-1-pyrazolyl)-2-quinoxalinyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]phenyl]acetic acid Traditional Name: 2-[4-[[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]phenyl]acetic acid Formula: C21H19N5O2 MolecularWeight: 373.40786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O2/c1-13-11-14(2)26(25-13)21-20(23-17-5-3-4-6-18(17)24-21)22-16-9-7-15(8-10-16)12-19(27)28/h3-11H,12H2,1-2H3,(H,22,23)(H,27,28)