methyl 2-cyano-2-[3-[(2-pyrazol-1-ylpyridin-3-yl)methylamino]quinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-[(2-pyrazol-1-ylpyridin-3-yl)methylamino]quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-[(2-pyrazol-1-yl-3-pyridyl)methylamino]quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[[2-(1-pyrazolyl)-3-pyridinyl]methylamino]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-[(2-pyrazol-1-ylpyridin-3-yl)methylamino]quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-[(2-pyrazol-1-yl-3-pyridyl)methylamino]quinoxalin-2-yl]acetic acid methyl ester Formula: C21H17N7O2 MolecularWeight: 399.40538

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1NCC3=C(N=CC=C3)N4C=CC=N4

Isomeric SMILES

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1NCC3=C(N=CC=C3)N4C=CC=N4

InChI

InChI=1S/C21H17N7O2/c1-30-21(29)15(12-22)18-19(27-17-8-3-2-7-16(17)26-18)24-13-14-6-4-9-23-20(14)28-11-5-10-25-28/h2-11,15H,13H2,1H3,(H,24,27)