methyl (3R)-2-[2-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(6-chloro-4-oxo-quinazolin-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-(6-chloro-4-oxo-3-quinazolinyl)-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(6-chloro-4-oxoquinazolin-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(6-chloro-4-keto-quinazolin-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C21H18ClN3O4 MolecularWeight: 411.83832

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Cl

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Cl

InChI

InChI=1S/C21H18ClN3O4/c1-29-21(28)18-8-13-4-2-3-5-14(13)10-25(18)19(26)11-24-12-23-17-7-6-15(22)9-16(17)20(24)27/h2-7,9,12,18H,8,10-11H2,1H3/t18-/m1/s1