methyl (2S)-2-[3-[bis(prop-2-enyl)amino]quinoxalin-2-yl]-2-cyano-ethanoate

Systemtic Name: methyl (2S)-2-[3-[bis(prop-2-enyl)amino]quinoxalin-2-yl]-2-cyano-ethanoate Openeye Name: methyl (2S)-2-cyano-2-[3-(diallylamino)quinoxalin-2-yl]acetate CAS Name: (2S)-2-[3-[bis(prop-2-enyl)amino]-2-quinoxalinyl]-2-cyanoacetic acid methyl ester IUPAC Name: methyl (2S)-2-[3-[bis(prop-2-enyl)amino]quinoxalin-2-yl]-2-cyanoacetate Traditional Name: (2S)-2-cyano-2-[3-(diallylamino)quinoxalin-2-yl]acetic acid methyl ester Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N(CC=C)CC=C

Isomeric SMILES

COC(=O)[C@H](C#N)C1=NC2=CC=CC=C2N=C1N(CC=C)CC=C

InChI

InChI=1S/C18H18N4O2/c1-4-10-22(11-5-2)17-16(13(12-19)18(23)24-3)20-14-8-6-7-9-15(14)21-17/h4-9,13H,1-2,10-11H2,3H3/t13-/m1/s1