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

Systemtic Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-morpholin-4-yl-3-nitro-phenyl)methanone Openeye Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-morpholino-3-nitro-phenyl)methanone CAS Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(4-morpholinyl)-3-nitrophenyl]methanone IUPAC Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-morpholin-4-yl-3-nitrophenyl)methanone Traditional Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-morpholino-3-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=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

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