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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC2=NC3=CC=CC=C3N=C2N4C(=CC(=N4)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC2=NC3=CC=CC=C3N=C2N4C(=CC(=N4)C)C

InChI

InChI=1S/C21H19N5O2/c1-12-8-9-15(21(27)28)11-18(12)23-19-20(26-14(3)10-13(2)25-26)24-17-7-5-4-6-16(17)22-19/h4-11H,1-3H3,(H,22,23)(H,27,28)