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

Systemtic Name: methyl (3R)-2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(4-keto-1,2,3-benzotriazin-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H18N4O4/c1-28-20(27)17-10-13-6-2-3-7-14(13)11-23(17)18(25)12-24-19(26)15-8-4-5-9-16(15)21-22-24/h2-9,17H,10-12H2,1H3/t17-/m1/s1