ethyl 4-[[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzoate

Systemtic Name: ethyl 4-[[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzoate Openeye Name: ethyl 4-[[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzoate CAS Name: 4-[[3-(3,5-dimethyl-1-pyrazolyl)-2-quinoxalinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzoate Traditional Name: 4-[[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzoic acid ethyl ester Formula: C22H21N5O2 MolecularWeight: 387.43444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O2/c1-4-29-22(28)16-9-11-17(12-10-16)23-20-21(27-15(3)13-14(2)26-27)25-19-8-6-5-7-18(19)24-20/h5-13H,4H2,1-3H3,(H,23,24)