3-(3,5-dimethoxyphenyl)-7-morpholin-4-yl-2H-isoquinolin-1-one

Systemtic Name: 3-(3,5-dimethoxyphenyl)-7-morpholin-4-yl-2H-isoquinolin-1-one Openeye Name: 3-(3,5-dimethoxyphenyl)-7-morpholino-2H-isoquinolin-1-one CAS Name: 3-(3,5-dimethoxyphenyl)-7-(4-morpholinyl)-2H-isoquinolin-1-one IUPAC Name: 3-(3,5-dimethoxyphenyl)-7-morpholin-4-yl-2H-isoquinolin-1-one Traditional Name: 3-(3,5-dimethoxyphenyl)-7-morpholino-isocarbostyril Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=CC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=CC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2)OC

InChI

InChI=1S/C21H22N2O4/c1-25-17-9-15(10-18(13-17)26-2)20-11-14-3-4-16(12-19(14)21(24)22-20)23-5-7-27-8-6-23/h3-4,9-13H,5-8H2,1-2H3,(H,22,24)