(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-morpholin-4-yl-5-nitro-phenyl)methanone

Systemtic Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-morpholin-4-yl-5-nitro-phenyl)methanone Openeye Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-morpholino-5-nitro-phenyl)methanone CAS Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(4-morpholinyl)-5-nitrophenyl]methanone IUPAC Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-morpholin-4-yl-5-nitrophenyl)methanone Traditional Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-morpholino-5-nitro-phenyl)methanone Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)OC

InChI

InChI=1S/C22H25N3O6/c1-29-20-11-15-5-6-24(14-16(15)12-21(20)30-2)22(26)18-13-17(25(27)28)3-4-19(18)23-7-9-31-10-8-23/h3-4,11-13H,5-10,14H2,1-2H3