methyl 2-cyano-2-[3-[2-(1,2,4-triazol-1-yl)ethylamino]quinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-[2-(1,2,4-triazol-1-yl)ethylamino]quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-[2-(1,2,4-triazol-1-yl)ethylamino]quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[2-(1,2,4-triazol-1-yl)ethylamino]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-[2-(1,2,4-triazol-1-yl)ethylamino]quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-[2-(1,2,4-triazol-1-yl)ethylamino]quinoxalin-2-yl]acetic acid methyl ester Formula: C16H15N7O2 MolecularWeight: 337.336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1NCCN3C=NC=N3

Isomeric SMILES

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1NCCN3C=NC=N3

InChI

InChI=1S/C16H15N7O2/c1-25-16(24)11(8-17)14-15(19-6-7-23-10-18-9-20-23)22-13-5-3-2-4-12(13)21-14/h2-5,9-11H,6-7H2,1H3,(H,19,22)