methyl 2-cyano-2-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinoxalin-2-yl]acetic acid methyl ester Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3=NC4=CC=CC=C4N=C3C(C#N)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3=NC4=CC=CC=C4N=C3C(C#N)C(=O)OC)OC

InChI

InChI=1S/C23H22N4O4/c1-29-19-10-14-8-9-27(13-15(14)11-20(19)30-2)22-21(16(12-24)23(28)31-3)25-17-6-4-5-7-18(17)26-22/h4-7,10-11,16H,8-9,13H2,1-3H3