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

Systemtic Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-imidazol-1-yl-3-nitro-phenyl)methanone Openeye Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-imidazol-1-yl-3-nitro-phenyl)methanone CAS Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(1-imidazolyl)-3-nitrophenyl]methanone IUPAC Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-imidazol-1-yl-3-nitrophenyl)methanone Traditional Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-imidazol-1-yl-3-nitro-phenyl)methanone Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C21H20N4O5/c1-29-19-10-14-5-7-23(12-16(14)11-20(19)30-2)21(26)15-3-4-17(18(9-15)25(27)28)24-8-6-22-13-24/h3-4,6,8-11,13H,5,7,12H2,1-2H3