methyl 2-cyano-2-[3-(cyclohexylamino)quinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-(cyclohexylamino)quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-(cyclohexylamino)quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-(cyclohexylamino)-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-(cyclohexylamino)quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-(cyclohexylamino)quinoxalin-2-yl]acetic acid methyl ester Formula: C18H20N4O2 MolecularWeight: 324.377

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1NC3CCCCC3

Isomeric SMILES

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1NC3CCCCC3

InChI

InChI=1S/C18H20N4O2/c1-24-18(23)13(11-19)16-17(20-12-7-3-2-4-8-12)22-15-10-6-5-9-14(15)21-16/h5-6,9-10,12-13H,2-4,7-8H2,1H3,(H,20,22)