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

Systemtic Name: ethyl 4-[[3-(3,5-dimethylpyrazol-1-yl)-6-methyl-quinoxalin-2-yl]amino]benzoate Openeye Name: ethyl 4-[[3-(3,5-dimethylpyrazol-1-yl)-6-methyl-quinoxalin-2-yl]amino]benzoate CAS Name: 4-[[3-(3,5-dimethyl-1-pyrazolyl)-6-methyl-2-quinoxalinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-yl]amino]benzoate Traditional Name: 4-[[3-(3,5-dimethylpyrazol-1-yl)-6-methyl-quinoxalin-2-yl]amino]benzoic acid ethyl ester Formula: C23H23N5O2 MolecularWeight: 401.46102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O2/c1-5-30-23(29)17-7-9-18(10-8-17)24-21-22(28-16(4)13-15(3)27-28)26-20-12-14(2)6-11-19(20)25-21/h6-13H,5H2,1-4H3,(H,24,25)