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

Systemtic Name: methyl (3R)-2-[2-(4-oxidanylidenequinazolin-3-yl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(4-oxoquinazolin-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[1-oxo-2-(4-oxo-3-quinazolinyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(4-oxoquinazolin-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(4-ketoquinazolin-3-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)CN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)CN3C=NC4=CC=CC=C4C3=O

InChI

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