ethyl 4-[[6-chloranyl-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzoate

Systemtic Name: ethyl 4-[[6-chloranyl-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzoate Openeye Name: ethyl 4-[[6-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzoate CAS Name: 4-[[6-chloro-3-(3,5-dimethyl-1-pyrazolyl)-2-quinoxalinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzoate Traditional Name: 4-[[6-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzoic acid ethyl ester Formula: C22H20ClN5O2 MolecularWeight: 421.8795

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC3=C(C=C(C=C3)Cl)N=C2N4C(=CC(=N4)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC3=C(C=C(C=C3)Cl)N=C2N4C(=CC(=N4)C)C

InChI

InChI=1S/C22H20ClN5O2/c1-4-30-22(29)15-5-8-17(9-6-15)24-20-21(28-14(3)11-13(2)27-28)26-19-12-16(23)7-10-18(19)25-20/h5-12H,4H2,1-3H3,(H,24,25)