methyl 9-(6-morpholin-4-ylpyridin-3-yl)-1-oxidanylidene-2H-benzo[h]isoquinoline-6-carboxylate

Systemtic Name: methyl 9-(6-morpholin-4-ylpyridin-3-yl)-1-oxidanylidene-2H-benzo[h]isoquinoline-6-carboxylate Openeye Name: methyl 9-(6-morpholino-3-pyridyl)-1-oxo-2H-benzo[h]isoquinoline-6-carboxylate CAS Name: 9-[6-(4-morpholinyl)-3-pyridinyl]-1-oxo-2H-benzo[h]isoquinoline-6-carboxylic acid methyl ester IUPAC Name: methyl 9-(6-morpholin-4-ylpyridin-3-yl)-1-oxo-2H-benzo[h]isoquinoline-6-carboxylate Traditional Name: 1-keto-9-(6-morpholino-3-pyridyl)-2H-benz[h]isoquinoline-6-carboxylic acid methyl ester Formula: C24H21N3O4 MolecularWeight: 415.44124

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C=CC(=CC2=C3C(=C1)C=CNC3=O)C4=CN=C(C=C4)N5CCOCC5

Isomeric SMILES

COC(=O)C1=C2C=CC(=CC2=C3C(=C1)C=CNC3=O)C4=CN=C(C=C4)N5CCOCC5

InChI

InChI=1S/C24H21N3O4/c1-30-24(29)20-13-16-6-7-25-23(28)22(16)19-12-15(2-4-18(19)20)17-3-5-21(26-14-17)27-8-10-31-11-9-27/h2-7,12-14H,8-11H2,1H3,(H,25,28)