methyl 2-(2,1,3-benzoxadiazol-5-ylcarbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylate

Systemtic Name: methyl 2-(2,1,3-benzoxadiazol-5-ylcarbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylate Openeye Name: methyl 2-(2,1,3-benzoxadiazole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylate CAS Name: 2-[2,1,3-benzoxadiazol-5-yl(oxo)methyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-(2,1,3-benzoxadiazole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylate Traditional Name: 2-(benzofurazan-5-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(CCN(C2)C(=O)C3=CC4=NON=C4C=C3)C=C1

Isomeric SMILES

COC(=O)C1=CC2=C(CCN(C2)C(=O)C3=CC4=NON=C4C=C3)C=C1

InChI

InChI=1S/C18H15N3O4/c1-24-18(23)13-3-2-11-6-7-21(10-14(11)8-13)17(22)12-4-5-15-16(9-12)20-25-19-15/h2-5,8-9H,6-7,10H2,1H3