methyl (3R)-2-[2-(4-oxidanylidenecinnolin-1-yl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-(4-oxidanylidenecinnolin-1-yl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(4-oxocinnolin-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[1-oxo-2-(4-oxo-1-cinnolinyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(4-oxocinnolin-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(4-ketocinnolin-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)CN3C4=CC=CC=C4C(=O)C=N3

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)CN3C4=CC=CC=C4C(=O)C=N3

InChI

InChI=1S/C21H19N3O4/c1-28-21(27)18-10-14-6-2-3-7-15(14)12-23(18)20(26)13-24-17-9-5-4-8-16(17)19(25)11-22-24/h2-9,11,18H,10,12-13H2,1H3/t18-/m1/s1