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

Systemtic Name: methyl (2S)-2-cyano-2-[3-(cyclopentylamino)quinoxalin-2-yl]ethanoate Openeye Name: methyl (2S)-2-cyano-2-[3-(cyclopentylamino)quinoxalin-2-yl]acetate CAS Name: (2S)-2-cyano-2-[3-(cyclopentylamino)-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl (2S)-2-cyano-2-[3-(cyclopentylamino)quinoxalin-2-yl]acetate Traditional Name: (2S)-2-cyano-2-[3-(cyclopentylamino)quinoxalin-2-yl]acetic acid methyl ester Formula: C17H18N4O2 MolecularWeight: 310.35042

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1NC3CCCC3

Isomeric SMILES

COC(=O)[C@H](C#N)C1=NC2=CC=CC=C2N=C1NC3CCCC3

InChI

InChI=1S/C17H18N4O2/c1-23-17(22)12(10-18)15-16(19-11-6-2-3-7-11)21-14-9-5-4-8-13(14)20-15/h4-5,8-9,11-12H,2-3,6-7H2,1H3,(H,19,21)/t12-/m1/s1